Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

Przeglądasz jako GOŚĆ
Zmień bibliotekę

Wyszukujesz frazę ""structure"" wg kryterium: Temat


Tytuł :
Structure-activity Relationship of Indomethacin Derivatives as IDO1 Inhibitors.
Autorzy :
Obata T; School of Pharmacy, Aichi Gakuin University, Nagoya, Japan; .
Shiratani S; School of Pharmacy, Aichi Gakuin University, Nagoya, Japan.
Nada T; Faculty of Pharmaceutical Sciences, Hokkaido University, Sapporo, Japan.
Kasaya Y; Faculty of Pharmaceutical Sciences, Hokkaido University, Sapporo, Japan.
Arisawa M; Faculty of Pharmaceutical Sciences, Hokkaido University, Sapporo, Japan.; Graduate School of Pharmaceutical Sciences, Osaka University, Osaka, Japan.
Shuto S; Faculty of Pharmaceutical Sciences, Hokkaido University, Sapporo, Japan.
Tanaka M; School of Pharmacy, Aichi Gakuin University, Nagoya, Japan.
Pokaż więcej
Źródło :
Anticancer research [Anticancer Res] 2021 May; Vol. 41 (5), pp. 2287-2296.
Typ publikacji :
Journal Article
MeSH Terms :
Structure-Activity Relationship*
Enzyme Inhibitors/*pharmacology
Indoleamine-Pyrrole 2,3,-Dioxygenase/*antagonists & inhibitors
Indomethacin/*pharmacology
Biocatalysis/drug effects ; Cell Line, Tumor ; Cell Survival/drug effects ; Enzyme Inhibitors/chemistry ; Humans ; Indoleamine-Pyrrole 2,3,-Dioxygenase/metabolism ; Indomethacin/chemistry ; Magnetic Resonance Spectroscopy/methods ; Molecular Structure
Czasopismo naukowe
Tytuł :
Structure-based protein function prediction using graph convolutional networks.
Autorzy :
Gligorijević V; Center for Computational Biology, Flatiron Institute, New York, NY, USA. .
Renfrew PD; Center for Computational Biology, Flatiron Institute, New York, NY, USA.
Kosciolek T; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA.; Malopolska Centre of Biotechnology, Jagiellonian University, Krakow, Poland.
Leman JK; Center for Computational Biology, Flatiron Institute, New York, NY, USA.
Berenberg D; Center for Computational Biology, Flatiron Institute, New York, NY, USA.; Courant Institute of Mathematical Sciences, Department of Computer Science, New York University, New York, NY, USA.
Vatanen T; Broad Institute of MIT and Harvard, Cambridge, MA, USA.; The Liggins Institute, University of Auckland, Auckland, New Zealand.
Chandler C; Center for Computational Biology, Flatiron Institute, New York, NY, USA.
Taylor BC; Biomedical Sciences Graduate Program, University of California San Diego, La Jolla, CA, USA.
Fisk IM; Scientific Computing Core, Flatiron Institute, Simons Foundation, New York, NY, USA.
Vlamakis H; Broad Institute of MIT and Harvard, Cambridge, MA, USA.
Xavier RJ; Broad Institute of MIT and Harvard, Cambridge, MA, USA.; Center for Computational and Integrative Biology, Massachusetts General Hospital and Harvard Medical School, Boston, MA, USA.; Gastrointestinal Unit, and Center for the Study of Inflammatory Bowel Disease, Massachusetts General Hospital and Harvard Medical School, Boston, MA, USA.; Center for Microbiome Informatics and Therapeutics, MIT, Cambridge, MA, USA.
Knight R; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA.; Department of Computer Science and Engineering, University of California San Diego, La Jolla, CA, USA.
Cho K; Center for Data Science, New York University, New York, NY, USA.; CIFAR Azrieli Global Scholar, New York, NY, USA.
Bonneau R; Center for Computational Biology, Flatiron Institute, New York, NY, USA. .; Courant Institute of Mathematical Sciences, Department of Computer Science, New York University, New York, NY, USA. .; Center for Data Science, New York University, New York, NY, USA. .; Center for Genomics and Systems Biology, Department of Biology, New York University, New York, NY, USA. .
Pokaż więcej
Źródło :
Nature communications [Nat Commun] 2021 May 26; Vol. 12 (1), pp. 3168. Date of Electronic Publication: 2021 May 26.
Typ publikacji :
Comparative Study; Evaluation Study; Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
MeSH Terms :
Deep Learning*
Models, Biological*
Protein Structure, Tertiary*
Computational Biology/*methods
Proteins/*physiology
Amino Acid Sequence ; Databases, Protein/statistics & numerical data ; Datasets as Topic ; Models, Molecular ; Proteins/ultrastructure ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Quantitative structure activity relationship and molecular simulations for the exploration of natural potent VEGFR-2 inhibitors: an in silico anti-angiogenic study.
Autorzy :
Sharma N; Department of Bioengineering, Integral University, Lucknow, India.
Sharma M; Department of Biosciences, Integral University, Lucknow, India.
Rahman QI; Department of Chemistry, Integral University, Lucknow, India.
Akhtar S; Department of Bioengineering, Integral University, Lucknow, India.; Novel Global Community Educational Foundation, Hebersham, Australia.
Muddassir M; Department of Chemistry, College of Sciences, King Saud University, Riyadh, Kingdom of Saudi Arabia.
Pokaż więcej
Źródło :
Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2021 May; Vol. 39 (8), pp. 2806-2823. Date of Electronic Publication: 2020 May 04.
Typ publikacji :
Journal Article
MeSH Terms :
Quantitative Structure-Activity Relationship*
Vascular Endothelial Growth Factor Receptor-2*/antagonists & inhibitors
Ligands ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Molecular Structure
Czasopismo naukowe
Tytuł :
SAR and QSAR research on tyrosinase inhibitors using machine learning methods.
Autorzy :
Wu Y; State Key Laboratory of Chemical Resource Engineering Department of Pharmaceutical Engineering, Beijing University of Chemical Technology , Beijing, P. R. China.
Huo D; State Key Laboratory of Chemical Resource Engineering Department of Pharmaceutical Engineering, Beijing University of Chemical Technology , Beijing, P. R. China.
Chen G; College of Life Science and Technology, Beijing University of Chemical Technology , Beijing, China.
Yan A; State Key Laboratory of Chemical Resource Engineering Department of Pharmaceutical Engineering, Beijing University of Chemical Technology , Beijing, P. R. China.
Pokaż więcej
Źródło :
SAR and QSAR in environmental research [SAR QSAR Environ Res] 2021 Feb; Vol. 32 (2), pp. 85-110. Date of Electronic Publication: 2021 Feb 01.
Typ publikacji :
Journal Article
MeSH Terms :
Machine Learning*
Neural Networks, Computer*
Structure-Activity Relationship*
Enzyme Inhibitors/*chemistry
Monophenol Monooxygenase/*antagonists & inhibitors
Quantitative Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer's Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches.
Autorzy :
Ojo OA; Medicinal Biochemistry and Biochemical Toxicology Group, Department of Biochemistry, Landmark University, Omu-Aran PMB 1001, Nigeria.
Ojo AB; Department of Biochemistry, Faculty of Sciences, Ekiti State University, Ado-Ekiti PMB 5363, Nigeria.
Okolie C; Department of Microbiology, Landmark University, Omu-Aran PMB 1001, Nigeria.
Nwakama MC; Medicinal Biochemistry and Biochemical Toxicology Group, Department of Biochemistry, Landmark University, Omu-Aran PMB 1001, Nigeria.
Iyobhebhe M; Medicinal Biochemistry and Biochemical Toxicology Group, Department of Biochemistry, Landmark University, Omu-Aran PMB 1001, Nigeria.
Evbuomwan IO; Department of Microbiology, Landmark University, Omu-Aran PMB 1001, Nigeria.
Nwonuma CO; Medicinal Biochemistry and Biochemical Toxicology Group, Department of Biochemistry, Landmark University, Omu-Aran PMB 1001, Nigeria.
Maimako RF; Medicinal Biochemistry and Biochemical Toxicology Group, Department of Biochemistry, Landmark University, Omu-Aran PMB 1001, Nigeria.
Adegboyega AE; Department of Biochemistry, Faculty of Basic Medical Science, University of Jos, Jos PMB 2084, Nigeria.
Taiwo OA; Department of Biochemistry, Chrisland University, Abeokuta PMB 2131, Nigeria.
Alsharif KF; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
Batiha GE; Department of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University, Damanhour, AlBeheira 22511, Egypt.
Pokaż więcej
Źródło :
Molecules (Basel, Switzerland) [Molecules] 2021 Apr 01; Vol. 26 (7). Date of Electronic Publication: 2021 Apr 01.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Discovery*
Molecular Docking Simulation*
Molecular Dynamics Simulation*
Quantitative Structure-Activity Relationship*
Phytochemicals/*chemistry
Phytochemicals/*pharmacology
Plants, Medicinal/*chemistry
Acetylcholinesterase/chemistry ; Alzheimer Disease/drug therapy ; Binding Sites ; Butyrylcholinesterase/chemistry ; Cholinesterase Inhibitors/chemistry ; Cholinesterase Inhibitors/pharmacology ; Humans ; Ligands ; Molecular Conformation ; Molecular Structure ; Protein Binding
Czasopismo naukowe
Tytuł :
Understanding the Molecular Basis of 5-HT 4 Receptor Partial Agonists through 3D-QSAR Studies.
Autorzy :
Castro-Alvarez A; Laboratorio de Bioproductos Farmacéuticos y Cosméticos, Centro de Excelencia en Medicina Traslacional, Facultad de Medicina, Universidad de La Frontera, Av. Francisco Salazar 01145, Temuco 4780000, Chile.
Chávez-Ángel E; Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and BIST, Campus UAB, Bellaterra, 08193 Barcelona, Spain.
Nelson R; Departamento de Química, Facultad de Ciencias, Universidad Católica del Norte, Av. Angamos 0610, Antofagasta 1270709, Chile.
Pokaż więcej
Źródło :
International journal of molecular sciences [Int J Mol Sci] 2021 Mar 30; Vol. 22 (7). Date of Electronic Publication: 2021 Mar 30.
Typ publikacji :
Journal Article
MeSH Terms :
Quantitative Structure-Activity Relationship*
Receptors, Serotonin, 5-HT4/*drug effects
Receptors, Serotonin, 5-HT4/*metabolism
Humans ; Models, Molecular ; Molecular Docking Simulation ; Serotonin 5-HT4 Receptor Agonists/chemistry ; Serotonin 5-HT4 Receptor Antagonists/chemistry ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
An Inverse QSAR Method Based on a Two-Layered Model and Integer Programming.
Autorzy :
Shi Y; Department of Applied Mathematics and Physics, Kyoto University, Kyoto 606-8501, Japan.
Zhu J; Department of Applied Mathematics and Physics, Kyoto University, Kyoto 606-8501, Japan.
Azam NA; Department of Applied Mathematics and Physics, Kyoto University, Kyoto 606-8501, Japan.
Haraguchi K; Department of Applied Mathematics and Physics, Kyoto University, Kyoto 606-8501, Japan.
Zhao L; Graduate School of Advanced Integrated Studies in Human Survivability (Shishu-Kan), Kyoto University, Kyoto 606-8306, Japan.
Nagamochi H; Department of Applied Mathematics and Physics, Kyoto University, Kyoto 606-8501, Japan.
Akutsu T; Bioinformatics Center, Institute for Chemical Research, Kyoto University, Uji 611-0011, Japan.
Pokaż więcej
Źródło :
International journal of molecular sciences [Int J Mol Sci] 2021 Mar 11; Vol. 22 (6). Date of Electronic Publication: 2021 Mar 11.
Typ publikacji :
Journal Article
MeSH Terms :
Algorithms*
Models, Chemical*
Quantitative Structure-Activity Relationship*
Organic Chemicals/*chemistry
Databases, Chemical ; Models, Molecular ; Molecular Structure
Czasopismo naukowe
Tytuł :
Synthesis, fungicidal activity, and 3D-QSAR of tetrazole derivatives containing phenyloxadiazole moieties.
Autorzy :
Li YT; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Yao WQ; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Zhou S; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Xu JX; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Lu H; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Lin J; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China; College of Chemistry Biology and Environmental Engineering, Xiangnan University, Chenzhou 423000, PR China. Electronic address: .
Hu XY; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Zhang SK; Dongguan HEC Pesticides R&D Co., Ltd, Dongguan 523871, PR China.
Pokaż więcej
Źródło :
Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2021 Feb 15; Vol. 34, pp. 127762. Date of Electronic Publication: 2020 Dec 24.
Typ publikacji :
Journal Article
MeSH Terms :
Quantitative Structure-Activity Relationship*
Fungicides, Industrial/*pharmacology
Oomycetes/*drug effects
Oxadiazoles/*pharmacology
Tetrazoles/*pharmacology
Cucumis sativus/drug effects ; Cucumis sativus/microbiology ; Dose-Response Relationship, Drug ; Fungicides, Industrial/chemical synthesis ; Fungicides, Industrial/chemistry ; Microbial Sensitivity Tests ; Molecular Structure ; Oxadiazoles/chemistry ; Plant Diseases/microbiology ; Tetrazoles/chemical synthesis ; Tetrazoles/chemistry
Czasopismo naukowe
Tytuł :
Isobenzofuran-1(3H)-ones as new tyrosinase inhibitors: Biological activity and interaction studies by molecular docking and NMR.
Autorzy :
Pires DAT; Instituto Federal de Educação, Ciência e Tecnologia de Goiás, Rua São Bartolomeu s/n, Vila Esperança, Luziânia, GO 72811-580, Brazil.
Guedes IA; Laboratório Nacional de Computação Científica, Av. Getúlio Vargas, 333 - Quitandinha, Petrópolis, RJ 25651-075, Brazil.
Pereira WL; Departamento de Química, Universidade Federal de Viçosa, Av. P. H. Rolfs, S/N, Viçosa, MG 36570-900, Brazil.
Teixeira RR; Departamento de Química, Universidade Federal de Viçosa, Av. P. H. Rolfs, S/N, Viçosa, MG 36570-900, Brazil.
Dardenne LE; Laboratório Nacional de Computação Científica, Av. Getúlio Vargas, 333 - Quitandinha, Petrópolis, RJ 25651-075, Brazil.
Nascimento CJ; Departamento de Ciências Naturais, Instituto de Biociências, Universidade Federal do Estado do Rio de Janeiro, Av. Pasteur, 458, Praia Vermelha, Rio de Janeiro, RJ 22290-250, Brazil. Electronic address: .
Figueroa-Villar JD; Departamento de Química, Instituto Militar de Engenharia, Praça General Tibúrcio, 80, Urca, Rio de Janeiro, RJ 22290-270, Brazil.
Pokaż więcej
Źródło :
Biochimica et biophysica acta. Proteins and proteomics [Biochim Biophys Acta Proteins Proteom] 2021 Feb; Vol. 1869 (2), pp. 140580. Date of Electronic Publication: 2020 Dec 03.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Structure-Activity Relationship*
Benzofurans/*chemistry
Copper/*chemistry
Enzyme Inhibitors/*chemistry
Monophenol Monooxygenase/*chemistry
Catalytic Domain/drug effects ; Enzyme Inhibitors/pharmacology ; Ligands ; Molecular Docking Simulation ; Molecular Structure ; Monophenol Monooxygenase/antagonists & inhibitors ; Nuclear Magnetic Resonance, Biomolecular
Czasopismo naukowe
Tytuł :
Pharmacophore model and atom-based 3D quantitative structure activity relationship (QSAR) of human immunodeficiency virus-1 (HIV-1) capsid assembly inhibitors.
Autorzy :
Bhole RP; Dr. D. Y. Patil Institute of Pharmaceutical Sciences and Research, Pimpri, Pune, India.
Bonde CG; SVKMs NMiMS, School of Pharmacy & Technology Management, School of Pharmacy, Dhule, Maharashtra, India.
Bonde SC; Dr. D. Y. Patil Institute of Pharmaceutical Sciences and Research, Pimpri, Pune, India.
Chikhale RV; School of Pharmacy, University of East Anglia, Norwich Research Park, Norwich, UK.
Wavhale RD; Dr. D. Y. Patil Institute of Pharmaceutical Sciences and Research, Pimpri, Pune, India.
Pokaż więcej
Źródło :
Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2021 Feb; Vol. 39 (2), pp. 718-727. Date of Electronic Publication: 2020 Jan 25.
Typ publikacji :
Journal Article
MeSH Terms :
HIV-1*
Quantitative Structure-Activity Relationship*
Capsid ; Capsid Proteins ; Humans ; Molecular Structure
Czasopismo naukowe
Tytuł :
Solution Structure, Dynamics, and New Antifungal Aspects of the Cysteine-Rich Miniprotein PAFC.
Autorzy :
Czajlik A; Department of Organic Chemistry, Faculty of Science and Technology, University of Debrecen, H-4032 Debrecen, Hungary.
Holzknecht J; Institute of Molecular Biology, Biocenter, Medical University of Innsbruck, A-6020 Innsbruck, Austria.
Galgóczy L; Institute of Plant Biology, Biological Research Centre, Eötvös Loránd Research Network, H-6726 Szeged, Hungary.; Department of Biotechnology, Faculty of Science and Informatics, University of Szeged, H-6726 Szeged, Hungary.
Tóth L; Institute of Plant Biology, Biological Research Centre, Eötvös Loránd Research Network, H-6726 Szeged, Hungary.; Department of Biotechnology, Faculty of Science and Informatics, University of Szeged, H-6726 Szeged, Hungary.
Poór P; Department of Plant Biology, Faculty of Sciences and Informatics, University of Szeged, H-6726 Szeged, Hungary.
Ördög A; Department of Plant Biology, Faculty of Sciences and Informatics, University of Szeged, H-6726 Szeged, Hungary.
Váradi G; Department of Medical Chemistry, Faculty of Medicine, University of Szeged, H-6720 Szeged, Hungary.
Kühbacher A; Institute of Molecular Biology, Biocenter, Medical University of Innsbruck, A-6020 Innsbruck, Austria.
Borics A; Institute of Biochemistry, Biological Research Centre, Eötvös Loránd Research Network, H-6726 Szeged, Hungary.
Tóth GK; Department of Medical Chemistry, Faculty of Medicine, University of Szeged, H-6720 Szeged, Hungary.; MTA-SZTE Biomimetic Systems Research Group, University of Szeged, Dóm tér 8, H-6720 Szeged, Hungary.
Marx F; Institute of Molecular Biology, Biocenter, Medical University of Innsbruck, A-6020 Innsbruck, Austria.
Batta G; Department of Organic Chemistry, Faculty of Science and Technology, University of Debrecen, H-4032 Debrecen, Hungary.
Pokaż więcej
Źródło :
International journal of molecular sciences [Int J Mol Sci] 2021 Jan 25; Vol. 22 (3). Date of Electronic Publication: 2021 Jan 25.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Conformation*
Molecular Dynamics Simulation*
Molecular Structure*
Antifungal Agents/*chemistry
Antifungal Agents/*pharmacology
Fungal Proteins/*chemistry
Fungal Proteins/*pharmacology
Amino Acid Motifs ; Amino Acid Sequence ; Microbial Sensitivity Tests ; Penicillium ; Penicillium chrysogenum ; Plant Diseases/microbiology ; Plant Diseases/prevention & control ; Protein Structure, Secondary ; Thermodynamics
SCR Organism :
Penicillium brevicompactum
Czasopismo naukowe
Tytuł :
Structural characterization and functional activity of an exopolysaccharide secreted by Rhodopseudomonas palustris GJ-22.
Autorzy :
Zhai Z; Longping Branch, Graduate School of Hunan University, Changsha 410125, China.
Chen A; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China.
Zhou H; Longping Branch, Graduate School of Hunan University, Changsha 410125, China.
Zhang D; Longping Branch, Graduate School of Hunan University, Changsha 410125, China; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China.
Du X; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China.
Liu Q; Agricultural and Rural Bureau of Changsha County, Changsha 410100, China.
Wu X; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China.
Cheng J; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China.
Chen L; Longping Branch, Graduate School of Hunan University, Changsha 410125, China.
Hu F; Ecological Environment Testing Center of Changsha, Changsha 410001, China.
Liu Y; Longping Branch, Graduate School of Hunan University, Changsha 410125, China; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China. Electronic address: .
Su P; Hunan Plant Protection Institute, Hunan Academy of Agricultural Sciences, Changsha 410125, China. Electronic address: .
Pokaż więcej
Źródło :
International journal of biological macromolecules [Int J Biol Macromol] 2021 Jan 15; Vol. 167, pp. 160-168. Date of Electronic Publication: 2020 Nov 27.
Typ publikacji :
Journal Article
MeSH Terms :
Models, Molecular*
Molecular Structure*
Polysaccharides, Bacterial/*chemistry
Polysaccharides, Bacterial/*pharmacology
Rhodopseudomonas/*chemistry
Gas Chromatography-Mass Spectrometry ; Magnetic Resonance Spectroscopy ; Methylation ; Molecular Weight ; Monosaccharides/chemistry ; Polysaccharides, Bacterial/isolation & purification ; Spectroscopy, Fourier Transform Infrared ; Structure-Activity Relationship
SCR Organism :
Rhodopseudomonas palustris
Czasopismo naukowe
Tytuł :
Computational identification of chemical compounds with potential anti-Chagas activity using a classification tree.
Autorzy :
Castillo-Garit JA; Unidad de Toxicología Experimental, Universidad de Ciencias Médicas de Villa Clara , Villa Clara, Cuba.; Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València , Valencia, Spain.
Barigye SJ; Departamento de Química Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid (UAM) , Madrid, Spain.
Pham-The H; Department of Pharmaceutical Chemistry, Hanoi University of Pharmacy , Hanoi, Viet-nam.
Pérez-Doñate V; Departamento de Microbiología, Hospital Universitario de la Ribera , Valencia, Spain.
Torrens F; Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna , València, Spain.
Pérez-Giménez F; Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València , Valencia, Spain.
Pokaż więcej
Źródło :
SAR and QSAR in environmental research [SAR QSAR Environ Res] 2021 Jan; Vol. 32 (1), pp. 71-83. Date of Electronic Publication: 2021 Jan 18.
Typ publikacji :
Journal Article
MeSH Terms :
Quantitative Structure-Activity Relationship*
Antiprotozoal Agents/*pharmacology
Trypanosoma cruzi/*drug effects
Chagas Disease/drug therapy ; Ligands ; Molecular Structure ; Software
Czasopismo naukowe
Tytuł :
Dynamics of proteins with different molecular structures under solution condition.
Autorzy :
Inoue R; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan. .
Oda T; Graduate School of Medical Life Science, Yokohama City University, Yokohama, 230-0045, Japan.; Department of Life Science, Rikkyo University, Nishi-Ikebukuro, Toshima-ku, Tokyo, 171-8501, Japan.
Nakagawa H; Hierarchical Structure Research Group, Neutron Materials Research Division, Materials Sciences Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan.; J-PARC Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan.
Tominaga T; Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki, 319-1106, Japan.
Saio T; Institute of Advanced Medical Sciences, Tokushima University, Tokushima, 770-8503, Japan.
Kawakita Y; J-PARC Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan.
Shimizu M; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan.
Okuda A; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan.
Morishima K; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan.
Sato N; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan.
Urade R; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan.
Sato M; Graduate School of Medical Life Science, Yokohama City University, Yokohama, 230-0045, Japan. .
Sugiyama M; Institute for Integrated Radiation and Nuclear Science, Kyoto University, Kumatori, Sennan-gun, Osaka, 590-0494, Japan. .
Pokaż więcej
Źródło :
Scientific reports [Sci Rep] 2020 Dec 10; Vol. 10 (1), pp. 21678. Date of Electronic Publication: 2020 Dec 10.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Molecular Structure*
Solutions*
Intrinsically Disordered Proteins/*chemistry
Spectrum Analysis/*instrumentation
Spectrum Analysis/*methods
Amino Acids ; Molecular Dynamics Simulation ; Protein Domains ; Protein Folding ; Protein Structure, Tertiary ; Solvents
Czasopismo naukowe
Tytuł :
Pharmacophore Modeling and 3D-QSAR Study of Indole and Isatin Derivatives as Antiamyloidogenic Agents Targeting Alzheimer's Disease.
Autorzy :
Purgatorio R; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Gambacorta N; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Catto M; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
de Candia M; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Pisani L; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Espargaró A; Institute of Nanoscience and Nanotechnology (IN2UB), Department of Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Joan XXIII 27-31, E-08028 Barcelona, Spain.
Sabaté R; Institute of Nanoscience and Nanotechnology (IN2UB), Department of Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Joan XXIII 27-31, E-08028 Barcelona, Spain.
Cellamare S; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Nicolotti O; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Altomare CD; Department of Pharmacy-Pharmaceutical Sciences, University of Bari Aldo Moro, Via E. Orabona 4, 70125 Bari, Italy.
Pokaż więcej
Źródło :
Molecules (Basel, Switzerland) [Molecules] 2020 Dec 07; Vol. 25 (23). Date of Electronic Publication: 2020 Dec 07.
Typ publikacji :
Journal Article
MeSH Terms :
Molecular Docking Simulation*
Molecular Dynamics Simulation*
Quantitative Structure-Activity Relationship*
Amyloid beta-Peptides/*chemistry
Indoles/*chemistry
Isatin/*chemistry
Alzheimer Disease/drug therapy ; Amyloid beta-Peptides/antagonists & inhibitors ; Amyloid beta-Peptides/metabolism ; Chemistry Techniques, Synthetic ; Cytoprotection/drug effects ; Drug Design ; Humans ; Indoles/pharmacology ; Isatin/pharmacology ; Ligands ; Molecular Conformation ; Molecular Structure ; Peptide Fragments/antagonists & inhibitors ; Peptide Fragments/chemistry ; Peptide Fragments/metabolism ; Protein Aggregates/drug effects
Czasopismo naukowe
Tytuł :
Determination and evaluation of secondary structure content derived from calcium-induced conformational changes in wild-type and mutant mnemiopsin 2 by synchrotron-based Fourier-transform infrared spectroscopy.
Autorzy :
Astani EK; Life Science Group, Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan; Department of Biochemistry, Faculty of Biological Sciences, Tarbiat Modares University, Tehran 14115-175, Iran.
Ersali S; Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Cluj-Napoca 400028, Romania.
Lee YC; Life Science Group, Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan.
Lin PJ; Life Science Group, Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan; Institute of Bioinformatics and Structural Biology, National Tsing Hua University, Hsinchu 30013, Taiwan.
Huang YC; Life Science Group, Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan.
Huang PY; Life Science Group, Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan.
Jafarian V; Department of Biology, Faculty of Science, University of Zanjan, Zanjan 45371-38791, Iran.
Hosseinkhani S; Department of Biochemistry, Faculty of Biological Sciences, Tarbiat Modares University, Tehran 14115-175, Iran. Electronic address: .
Chen CJ; Life Science Group, Scientific Research Division, National Synchrotron Radiation Research Center, Hsinchu, 30076, Taiwan; Department of Biotechnology and Bioindustry Sciences, National Cheng Kung University, Tainan City 701, Taiwan; Department of Physics, National Tsing Hua University, Hsinchu 30043, Taiwan; Department of Biological Science and Technology, National Chiao Tung University, Hsinchu 30010, Taiwan. Electronic address: .
Pokaż więcej
Źródło :
Biochimica et biophysica acta. Proteins and proteomics [Biochim Biophys Acta Proteins Proteom] 2020 Dec; Vol. 1868 (12), pp. 140528. Date of Electronic Publication: 2020 Aug 25.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Protein Structure, Secondary*
Spectroscopy, Fourier Transform Infrared*
Calcium/*chemistry
Luminescent Proteins/*chemistry
Hydrogen-Ion Concentration ; Luminescent Proteins/genetics ; Mutant Proteins ; Protein Binding ; Protein Conformation ; Protein Interaction Domains and Motifs ; Solutions ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
An ultrasonic-extracted arabinoglucan from Tamarindus indica L. pulp: A study on molecular and structural characterizations.
Autorzy :
Guo R; Shanghai Engineering Research Center of Food Safety, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China.
Li X; Shanghai Engineering Research Center of Food Safety, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China.
Chen X; Institute of Agricultural Information and Economic, Beijing Academy of Agriculture and Forestry Sciences, Beijing 100097, China.
Kou Y; Shanghai Engineering Research Center of Food Safety, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China.
Hu H; Shanghai Engineering Research Center of Food Safety, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China.
Liu X; Shanghai Engineering Research Center of Food Safety, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China.
Li D; Institute of Edible Fungi, Shanghai Academy of Agricultural Sciences, Key Laboratory of Edible Fungi Resources and Utilization (South), Ministry of Agriculture, National Engineering Research Center of Edible Fungi, National R&D Center for Edible Fungi Processing, Shanghai 201403, China.
Liu Y; Institute of Edible Fungi, Shanghai Academy of Agricultural Sciences, Key Laboratory of Edible Fungi Resources and Utilization (South), Ministry of Agriculture, National Engineering Research Center of Edible Fungi, National R&D Center for Edible Fungi Processing, Shanghai 201403, China.
Ai L; School of Medical Instrument and Food Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China.
Song Z; Yunnan Maoduoli Group Food Co., Ltd., Yuxi 653100, China; Shanghai Yecao Biotechnology Co., Ltd., Shanghai 200093, China.
Wu Y; Shanghai Engineering Research Center of Food Safety, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China. Electronic address: .
Pokaż więcej
Źródło :
International journal of biological macromolecules [Int J Biol Macromol] 2020 Dec 01; Vol. 164, pp. 3687-3697. Date of Electronic Publication: 2020 Aug 31.
Typ publikacji :
Journal Article
MeSH Terms :
Structure-Activity Relationship*
Mucoproteins/*chemistry
Polysaccharides/*chemistry
Tamarindus/*chemistry
Arabinose/chemistry ; Molecular Structure ; Monosaccharides/chemistry ; Mucoproteins/isolation & purification ; Mucoproteins/ultrastructure ; Plant Proteins/chemistry ; Plant Proteins/isolation & purification ; Plant Proteins/ultrastructure ; Polysaccharides/isolation & purification ; Polysaccharides/ultrastructure ; Sugars/chemistry ; Tamarindus/radiation effects ; Ultrasonics
Czasopismo naukowe
Tytuł :
First report of substituted 2 H- pyranoids from brown seaweed Turbinaria conoides with antioxidant and anti-inflammatory activities.
Autorzy :
Chakraborty K; Central Marine Fisheries Research Institute, Cochin, Kerala, India.
Dhara S; Central Marine Fisheries Research Institute, Cochin, Kerala, India.; Department of Chemistry, Mangalore University, Mangalagangothri, Karnataka, India.
Pokaż więcej
Źródło :
Natural product research [Nat Prod Res] 2020 Dec; Vol. 34 (24), pp. 3451-3461. Date of Electronic Publication: 2019 Mar 05.
Typ publikacji :
Journal Article
MeSH Terms :
Structure-Activity Relationship*
Anti-Inflammatory Agents, Non-Steroidal/*pharmacology
Antioxidants/*pharmacology
Phaeophyta/*chemistry
Pyrans/*chemistry
Anti-Inflammatory Agents, Non-Steroidal/chemistry ; Antioxidants/chemistry ; Cyclooxygenase 2 Inhibitors/chemistry ; Cyclooxygenase 2 Inhibitors/pharmacology ; Cyclooxygenase Inhibitors/chemistry ; Cyclooxygenase Inhibitors/pharmacology ; Drug Evaluation, Preclinical ; Lipoxygenase Inhibitors/chemistry ; Lipoxygenase Inhibitors/pharmacology ; Magnetic Resonance Spectroscopy ; Molecular Structure ; Seaweed/chemistry
Czasopismo naukowe
Tytuł :
Quantitative structure-activity relationship (QSAR) and design of novel ligands that demonstrate high potency and target selectivity as protein tyrosine phosphatase 1B (PTP 1B) inhibitors as an effective strategy used to model anti-diabetic agents.
Autorzy :
Arthur DE; Department of Chemistry, ABU zaria, Baze University, Abuja, Nigeria.; Baze University, Ahmadu Bello University Zaria, Abuja, Nigeria.
Ejeh S; Ahmadu Bello University, Zaria, Nigeria.
Uzairu A; Ahmadu Bello University, Zaria, Nigeria.
Pokaż więcej
Źródło :
Journal of receptor and signal transduction research [J Recept Signal Transduct Res] 2020 Dec; Vol. 40 (6), pp. 501-520. Date of Electronic Publication: 2020 May 12.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Models, Molecular*
Quantitative Structure-Activity Relationship*
Enzyme Inhibitors/*pharmacology
Hypoglycemic Agents/*pharmacology
Protein Tyrosine Phosphatase, Non-Receptor Type 1/*antagonists & inhibitors
Protein Tyrosine Phosphatase, Non-Receptor Type 1/*metabolism
Diabetes Mellitus, Type 2/drug therapy ; Diabetes Mellitus, Type 2/enzymology ; Drug Discovery ; Enzyme Inhibitors/chemistry ; Humans ; Hypoglycemic Agents/chemistry ; Ligands ; Molecular Structure ; Molecular Targeted Therapy ; p38 Mitogen-Activated Protein Kinases/metabolism
Czasopismo naukowe
Tytuł :
Purification, structural characterization, and cognitive improvement activity of a polysaccharides from Schisandra chinensis.
Autorzy :
Xu M; School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China.
Yan T; School of Functional Food and Wine, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China.
Gong G; Department of Bioengineering, Zunyi Medical University, Zhuhai Campus, Zhuhai, Guangdong 519041, China.
Wu B; School of Functional Food and Wine, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China.
He B; School of Functional Food and Wine, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China.
Du Y; School of Functional Food and Wine, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China.
Xiao F; School of Functional Food and Wine, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China. Electronic address: .
Jia Y; School of Functional Food and Wine, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, China. Electronic address: .
Pokaż więcej
Źródło :
International journal of biological macromolecules [Int J Biol Macromol] 2020 Nov 15; Vol. 163, pp. 497-507. Date of Electronic Publication: 2020 Jul 03.
Typ publikacji :
Journal Article
MeSH Terms :
Chemical Fractionation*/methods
Molecular Structure*
Cognition/*drug effects
Polysaccharides/*chemistry
Polysaccharides/*isolation & purification
Polysaccharides/*pharmacology
Schisandra/*chemistry
Animals ; Hippocampus/drug effects ; Hippocampus/metabolism ; Immunohistochemistry ; Magnetic Resonance Spectroscopy ; Male ; Maze Learning/drug effects ; Memory and Learning Tests ; Mice ; Molecular Weight ; Monosaccharides/chemistry ; Neuroprotective Agents/chemistry ; Neuroprotective Agents/isolation & purification ; Neuroprotective Agents/pharmacology ; Spectroscopy, Fourier Transform Infrared ; Structure-Activity Relationship
Czasopismo naukowe

Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies