المؤلفون: Melo-Filho CC; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, 301 Beard Hall, University of North Carolina, Chapel Hill, NC 27599, United States., Su G; Glycan Therapeutics, 617 Hutton Street, Raleigh, NC 27606, United States., Liu K; Glycan Therapeutics, 617 Hutton Street, Raleigh, NC 27606, United States., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, 301 Beard Hall, University of North Carolina, Chapel Hill, NC 27599, United States., Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, 301 Beard Hall, University of North Carolina, Chapel Hill, NC 27599, United States., Liu J; Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, 1044 Genetic Medicine Bldg., University of North Carolina, Chapel Hill, NC 27599, United States.

المصدر: Glycobiology [Glycobiology] 2024 May 26; Vol. 34 (7).

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural

بيانات الدورية: Publisher: IRL Press at Oxford University Press Country of Publication: England NLM ID: 9104124 Publication Model: Print Cited Medium: Internet ISSN: 1460-2423 (Electronic) Linking ISSN: 09596658 NLM ISO Abbreviation: Glycobiology Subsets: MEDLINE

مواضيع طبية MeSH: Heparitin Sulfate*/chemistry , Heparitin Sulfate*/metabolism , Fibroblast Growth Factor 2*/chemistry , Fibroblast Growth Factor 2*/metabolism, Quantitative Structure-Activity Relationship ; Microarray Analysis ; Oligosaccharides/chemistry ; Oligosaccharides/metabolism ; Protein Binding ; Humans ; Models, Molecular

المؤلفون: Martin HJ; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Melo-Filho CC; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Korn D; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Eastman RT; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850, USA., Rai G; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850, USA., Simeonov A; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850, USA., Zakharov AV; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850, USA. Electronic address: alexey.zakharov@nih.gov., Muratov E; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA. Electronic address: murik@email.unc.edu., Tropsha A; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA. Electronic address: alex_tropsha@unc.edu.

المصدر: Antiviral research [Antiviral Res] 2023 Sep; Vol. 217, pp. 105620. Date of Electronic Publication: 2023 May 09.

نوع المنشور: Journal Article; Research Support, N.I.H., Intramural; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 8109699 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1872-9096 (Electronic) Linking ISSN: 01663542 NLM ISO Abbreviation: Antiviral Res Subsets: MEDLINE

مواضيع طبية MeSH: Viruses*/genetics , Coronavirus Infections*, Humans ; Antiviral Agents/pharmacology ; Databases, Factual

المؤلفون: Melo-Filho CC; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Bobrowski T; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Martin HJ; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Sessions Z; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Popov KI; Department of Biochemistry and Biophysics, School of Medicine, University of North Carolina, Chapel Hill, NC, 27599, USA., Moorman NJ; Department of Microbiology and Immunology, School of Medicine, University of North Carolina, Chapel Hill, NC, 27599, USA., Baric RS; Department of Epidemiology, Gillings School of Public Health, University of North Carolina, Chapel Hill, NC, 27599, USA., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA. Electronic address: murik@email.unc.edu., Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA. Electronic address: alex_tropsha@unc.edu.

المصدر: Antiviral research [Antiviral Res] 2022 Aug; Vol. 204, pp. 105360. Date of Electronic Publication: 2022 Jun 09.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 8109699 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1872-9096 (Electronic) Linking ISSN: 01663542 NLM ISO Abbreviation: Antiviral Res Subsets: MEDLINE

مواضيع طبية MeSH: COVID-19* , Middle East Respiratory Syndrome Coronavirus*, Antiviral Agents/pharmacology ; Drug Discovery ; Humans ; SARS-CoV-2

المؤلفون: Martin HJ; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Melo-Filho CC; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Korn D; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Eastman RT; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850., Rai G; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850., Simeonov A; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850., Zakharov AV; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, Rockville, MD, 20850., Muratov E; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA., Tropsha A; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA.

المصدر: BioRxiv : the preprint server for biology [bioRxiv] 2022 Jul 11. Date of Electronic Publication: 2022 Jul 11.

نوع المنشور: Preprint

بيانات الدورية: Country of Publication: United States NLM ID: 101680187 Publication Model: Electronic Cited Medium: Internet NLM ISO Abbreviation: bioRxiv Subsets: PubMed not MEDLINE

المؤلفون: Alves VM; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA., Bobrowski T; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Melo-Filho CC; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Korn D; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.; Department of Computer Science, University of North Carolina, Chapel Hill, NC, 27599, USA., Auerbach S; Toxinformatics Group, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA., Schmitt C; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.; Department of Pharmaceutical Sciences, Federal University of Paraiba, Joao Pessoa, PB, Brazil., Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.

المصدر: Molecular informatics [Mol Inform] 2021 Jan; Vol. 40 (1), pp. e2000113. Date of Electronic Publication: 2020 Aug 24.

نوع المنشور: Journal Article; Randomized Controlled Trial; Research Support, N.I.H., Extramural

بيانات الدورية: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101529315 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1868-1751 (Electronic) Linking ISSN: 18681743 NLM ISO Abbreviation: Mol Inform Subsets: MEDLINE

مواضيع طبية MeSH: Antiviral Agents*/chemistry , Antiviral Agents*/therapeutic use , COVID-19*/enzymology , Coronavirus 3C Proteases*/antagonists & inhibitors , Coronavirus 3C Proteases*/chemistry , Drug Repositioning* , Molecular Docking Simulation* , Protease Inhibitors*/chemistry , Protease Inhibitors*/therapeutic use , COVID-19 Drug Treatment*, Imidazoles/*chemistry , Indoleacetic Acids/*chemistry , SARS-CoV-2/*enzymology , Sulfoxides/*chemistry, Catalytic Domain ; Humans ; Imidazoles/therapeutic use ; Indoleacetic Acids/therapeutic use ; Quantitative Structure-Activity Relationship ; Sulfoxides/therapeutic use

المؤلفون: Bobrowski T; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599, USA., Melo-Filho CC; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599, USA., Korn D; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599, USA; Department of Computer Science, University of North Carolina, Chapel Hill, NC 27599, USA., Alves VM; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, NC 27560, USA., Popov KI; Department of Biochemistry and Biophysics, University of North Carolina, Chapel Hill, NC 27599, USA., Auerbach S; Toxicoinformatics Group, National Toxicology Program, NIEHS, Morrisville, NC 27560, USA., Schmitt C; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, NC 27560, USA., Moorman NJ; Department of Microbiology and Immunology, University of North Carolina, Chapel Hill, NC 27599, USA., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599, USA; Department of Pharmaceutical Sciences, Federal University of Paraiba, Joao Pessoa, PB, Brazil. Electronic address: murik@email.unc.edu., Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599, USA. Electronic address: alex_tropsha@unc.edu.

المصدر: Drug discovery today [Drug Discov Today] 2020 Sep; Vol. 25 (9), pp. 1604-1613. Date of Electronic Publication: 2020 Jul 15.

نوع المنشور: Historical Article; Journal Article; Research Support, N.I.H., Extramural; Review

بيانات الدورية: Publisher: Elsevier Science Ltd. Country of Publication: England NLM ID: 9604391 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-5832 (Electronic) Linking ISSN: 13596446 NLM ISO Abbreviation: Drug Discov Today Subsets: MEDLINE

مواضيع طبية MeSH: Coronavirus Infections*/drug therapy , Coronavirus Infections*/epidemiology , Coronavirus Infections*/prevention & control , Drug Development*/methods , Drug Development*/organization & administration , Epidemics*/history , Epidemics*/prevention & control , Pandemics*/prevention & control , Pneumonia, Viral*/drug therapy , Pneumonia, Viral*/epidemiology , Pneumonia, Viral*/prevention & control , Research*/organization & administration , Research*/standards, Antiviral Agents/*pharmacology, Betacoronavirus ; COVID-19 ; History, 20th Century ; History, 21st Century ; Humans ; SARS-CoV-2

المؤلفون: Bobrowski T; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Alves VM; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA., Melo-Filho CC; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Korn D; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.; Department of Computer Science, University of North Carolina, Chapel Hill, NC, 27599, USA., Auerbach S; Toxinformatics Group, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA., Schmitt C; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA., Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.

المصدر: ChemRxiv : the preprint server for chemistry [ChemRxiv] 2020 Apr 22. Date of Electronic Publication: 2020 Apr 22.

نوع المنشور: Preprint

بيانات الدورية: Country of Publication: United States NLM ID: 101720906 Publication Model: Electronic Cited Medium: Internet ISSN: 2573-2293 (Electronic) Linking ISSN: 25732293 NLM ISO Abbreviation: ChemRxiv Subsets: PubMed not MEDLINE

المؤلفون: Melo-Filho CC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goiás - UFG, Rua 240, Qd.87, Goiania, GO, 74605-510, Brazil., Braga RC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goiás - UFG, Rua 240, Qd.87, Goiania, GO, 74605-510, Brazil., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA; Department of Chemical Technology, Odessa National Polytechnic University, 1. Shevchenko Ave., Odessa, 65000, Ukraine., Franco CH; National Laboratory of Biosciences (LNBio), Centro Nacional de Pesquisa em Energia e Materiais (CNPEM), Campinas, SP, 13083-970, Brazil., Moraes CB; National Laboratory of Biosciences (LNBio), Centro Nacional de Pesquisa em Energia e Materiais (CNPEM), Campinas, SP, 13083-970, Brazil; Department of Microbiology, Institute of Biomedical Sciences, University of São Paulo, São Paulo, SP, 05508-900, Brazil., Freitas-Junior LH; National Laboratory of Biosciences (LNBio), Centro Nacional de Pesquisa em Energia e Materiais (CNPEM), Campinas, SP, 13083-970, Brazil; Department of Microbiology, Institute of Biomedical Sciences, University of São Paulo, São Paulo, SP, 05508-900, Brazil., Andrade CH; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goiás - UFG, Rua 240, Qd.87, Goiania, GO, 74605-510, Brazil. Electronic address: carolina@ufg.br.

المصدر: European journal of medicinal chemistry [Eur J Med Chem] 2019 Feb 01; Vol. 163, pp. 649-659. Date of Electronic Publication: 2018 Nov 29.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Drug Discovery* , Quantitative Structure-Activity Relationship*, Chagas Disease/*drug therapy , Trypanosoma cruzi/*drug effects, Drug Evaluation, Preclinical/methods ; Humans ; Trypanocidal Agents/chemistry

المؤلفون: Andrade CH; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil., Neves BJ; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil.; Laboratory of Cheminformatics, Centro Universitario de Anapolis (UniEVANGELICA), Anapolis, GO, 75083-515, Brazil., Melo-Filho CC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil., Rodrigues J; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil.; GenoBio - Laboratory of Genomics and Biotechnology, Institute of Tropical Pathology and Public Health, Federal University of Goiás, Goiânia, GO, 74605- 220, Brazil., Silva DC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil., Braga RC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil.; GenoBio - Laboratory of Genomics and Biotechnology, Institute of Tropical Pathology and Public Health, Federal University of Goiás, Goiânia, GO, 74605- 220, Brazil., Cravo PVL; Laboratory of Cheminformatics, Centro Universitario de Anapolis (UniEVANGELICA), Anapolis, GO, 75083-515, Brazil.; GenoBio - Laboratory of Genomics and Biotechnology, Institute of Tropical Pathology and Public Health, Federal University of Goiás, Goiânia, GO, 74605- 220, Brazil.; Instituto de Higiene e Medicina Tropical, Universidade Nova de Lisboa, Lisboa, 1349-008, Portugal.

المصدر: Current medicinal chemistry [Curr Med Chem] 2019; Vol. 26 (23), pp. 4355-4379.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Bentham Science Publishers Country of Publication: United Arab Emirates NLM ID: 9440157 Publication Model: Print Cited Medium: Internet ISSN: 1875-533X (Electronic) Linking ISSN: 09298673 NLM ISO Abbreviation: Curr Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Computer Simulation*, Antiprotozoal Agents/*therapeutic use , Neglected Diseases/*drug therapy, Antiprotozoal Agents/chemistry ; Drug Repositioning ; Humans ; Ligands ; Molecular Docking Simulation ; Molecular Structure

المؤلفون: Neves BJ; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, Brazil.; Laboratory of Cheminformatics, Centro Universitário de Anápolis (UniEVANGÉLICA), Anápolis, Brazil., Braga RC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, Brazil., Melo-Filho CC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, Brazil., Moreira-Filho JT; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, Brazil., Muratov EN; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, NC, United States.; Department of Chemical Technology, Odessa National Polytechnic University, Odessa, Ukraine., Andrade CH; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, Brazil.

المصدر: Frontiers in pharmacology [Front Pharmacol] 2018 Nov 13; Vol. 9, pp. 1275. Date of Electronic Publication: 2018 Nov 13 (Print Publication: 2018).

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Frontiers Media] Country of Publication: Switzerland NLM ID: 101548923 Publication Model: eCollection Cited Medium: Print ISSN: 1663-9812 (Print) Linking ISSN: 16639812 NLM ISO Abbreviation: Front Pharmacol Subsets: PubMed not MEDLINE