المؤلفون: Mateus Sá Magalhães Serafim, Thales Kronenberger, Renata Barbosa de Oliveira, Erna Geessien Kroon, Jônatas Santos Abrahão, Bruno Eduardo Fernandes Mota, Vinícius Gonçalves Maltarollo

المصدر: Future Pharmacology, Vol 3, Iss 2, Pp 364-378 (2023)

مصطلحات موضوعية: curcumin analogues, dengue virus serotype 2, yellow fever virus, Zika virus, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-9879/3/2/22; https://doaj.org/toc/2673-9879

URL الوصول: https://doaj.org/article/39c39f485a6244659439dbe0da2adf6b

المؤلفون: Mateus Sá Magalhães Serafim, Simone Queiroz Pantaleão, Elany Barbosa da Silva, James H. McKerrow, Anthony J. O’Donoghue, Bruno Eduardo Fernandes Mota, Kathia Maria Honorio, Vinícius Gonçalves Maltarollo

المصدر: Frontiers in Drug Discovery, Vol 3 (2023)

مصطلحات موضوعية: enzymatic inhibition, HQSAR, Mpro, QSAR, SARS-CoV-2, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fddsv.2023.1237655/full; https://doaj.org/toc/2674-0338

URL الوصول: https://doaj.org/article/e2db8cf43a7740b480f9cbd0085bc576

المؤلفون: Gabriel Corrêa Veríssimo, Valtair Severino dos Santos Júnior, Ingrid Ariela do Rosário de Almeida, Marina Sant’Anna Mitraud Ruas, Lukas Galuppo Coutinho, Renata Barbosa de Oliveira, Ricardo José Alves, Vinícius Gonçalves Maltarollo

المصدر: Molecular Diversity. 26:3387-3397

مصطلحات موضوعية: Inorganic Chemistry, Databases, Factual, Drug Design, Organic Chemistry, Drug Discovery, General Medicine, Physical and Theoretical Chemistry, Molecular Biology, Brazil, Catalysis, Information Systems

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad00728df8b0f34f58403ac62ae78099
https://doi.org/10.1007/s11030-022-10386-9

المؤلفون: Vinícius Gonçalves Maltarollo, Aline de Souza Bozzi, Adolfo H. Moraes, João Paulo A. Martins, Diego Magno Martins, Philipe de Oliveira Fernandes

المصدر: Molecular Diversity

مصطلحات موضوعية: Quantitative structure–activity relationship, ABL kinase activators, Cellular differentiation, Quantitative Structure-Activity Relationship, LBDD, Molecular Dynamics Simulation, Ligands, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, Catalysis, Machine Learning, Inorganic Chemistry, hemic and lymphatic diseases, Drug Discovery, Humans, Physical and Theoretical Chemistry, Proto-Oncogene Proteins c-abl, Protein Kinase Inhibitors, Molecular Biology, Myristoylation, SBDD, Binding Sites, ABL, Molecular Structure, QSAR, 010405 organic chemistry, Kinase, business.industry, Chemistry, Organic Chemistry, General Medicine, Matthews correlation coefficient, 0104 chemical sciences, Molecular Docking Simulation, Drug development, Drug Design, Molecular docking, Original Article, Artificial intelligence, business, computer, Tyrosine kinase, Protein Binding, SAR, Information Systems

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::84ed73c59ca49a47fb04f25bfa42bd66
https://doi.org/10.1007/s11030-021-10261-z

المؤلفون: Thales Kronenberger, Eduardo Borges de Melo, Philipe de Oliveira Fernandes, Vinícius Gonçalves Maltarollo, João Paulo A. Martins, Renata Barbosa de Oliveira

المصدر: Journal of Biomolecular Structure and Dynamics. 40:9789-9800

مصطلحات موضوعية: Antifungal, Cryptococcus neoformans, 0303 health sciences, Quantitative structure–activity relationship, medicine.drug_class, business.industry, 030303 biophysics, Context (language use), General Medicine, Biology, Matthews correlation coefficient, Machine learning, computer.software_genre, biology.organism_classification, 03 medical and health sciences, Structural Biology, medicine, Artificial intelligence, business, Molecular Biology, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::355c94b3c539b9e69a237ecdd4401ca3
https://doi.org/10.1080/07391102.2021.1935321

المؤلفون: Mateus Sá Magalhães Serafim, Vinícius Gonçalves Maltarollo, Valtair Severino Dos Santos Júnior, Jadson Castro Gertrudes, Káthia Maria Honório

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Drug, 2019-20 coronavirus outbreak, Coronavirus disease 2019 (COVID-19), Computer science, media_common.quotation_subject, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), Machine learning, computer.software_genre, Antiviral Agents, Machine Learning, 03 medical and health sciences, 0302 clinical medicine, Drug Discovery, Animals, Humans, 030304 developmental biology, media_common, 0303 health sciences, Virtual screening, business.industry, Drug discovery, Drug Repositioning, Biological potential, COVID-19 Drug Treatment, Drug repositioning, Virus Diseases, Drug Design, 030220 oncology & carcinogenesis, Artificial intelligence, COMPUTAÇÃO APLICADA, business, computer, Algorithms

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c4eef16c4d768833baae62b000f4ee49
https://doi.org/10.1080/17460441.2021.1918098

المؤلفون: Rodrigo Maia de Pádua, Jadel Müller Kratz, Jennifer Munkert, Jéssica Wildgrube Bertol, Caroline Rigotto, Daniela Schuster, Vinícius Gonçalves Maltarollo, Wolfgang Kreis, Cláudia Maria Oliveira Simões, Fernão Castro Braga

المصدر: Chemistrybiodiversity. 19(10)

مصطلحات موضوعية: Aldehydes, Digitalis, Plant Extracts, Water, Bioengineering, General Chemistry, General Medicine, 1-Octanol, Biochemistry, Rhamnose, Antiviral Agents, Cardenolides, Lactones, ddc:570, Molecular Medicine, Glycosides, Molecular Biology, Retrospective Studies

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::694d5338e49e8eb71608d73d547cad22
https://pubmed.ncbi.nlm.nih.gov/36085355

المؤلفون: Maria Silvana Alves, Wesley Gonçalves de Moraes, Ygor Ferreira Garcia da Costa, Carolina P. S. Moreira, Ícaro F. Protti, Helen Rodrigues Martins, Giovana G. Garcia, Flaviano Melo Ottoni, Marina M. S. Andrade, Nicole F. Moreira, Ricardo José Alves, Gabriel F. Caran, Renata Barbosa de Oliveira, Vinícius Gonçalves Maltarollo

المصدر: Medicinal Chemistry Research. 30:1074-1086

مصطلحات موضوعية: 010405 organic chemistry, Pseudomonas aeruginosa, medicine.drug_class, Chemistry, Organic Chemistry, Antibiotics, Context (language use), medicine.disease_cause, Antimicrobial, 01 natural sciences, 0104 chemical sciences, Microbiology, Multiple drug resistance, 010404 medicinal & biomolecular chemistry, Staphylococcus aureus, medicine, General Pharmacology, Toxicology and Pharmaceutics, Antibacterial activity, Escherichia coli

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a4f7c2f881bf1e9a498c3a41dd17fb69
https://doi.org/10.1007/s00044-021-02711-y

المؤلفون: Mateus Sá Magalhães Serafim, Thales Kronenberger, Bruno Eduardo Fernandes Mota, Vinícius Gonçalves Maltarollo, Patrícia R. Oliveira, Káthia Maria Honório, Antti Poso

المصدر: Expert Opinion on Drug Discovery. 15:1165-1180

مصطلحات موضوعية: Antibiotic drug, 0303 health sciences, Virtual screening, Quantitative structure–activity relationship, Computer science, Drug discovery, medicine.drug_class, Antibiotics, Computational biology, Anti-Bacterial Agents, Machine Learning, 03 medical and health sciences, 0302 clinical medicine, Antibiotic resistance, Drug Development, Drug Design, 030220 oncology & carcinogenesis, Drug Resistance, Bacterial, Drug Discovery, medicine, Animals, Humans, Algorithms, 030304 developmental biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3765ffc1764648548af1c115dad1dbe
https://doi.org/10.1080/17460441.2020.1776696

المؤلفون: Vanderlan da Silva Bolzani, Marilia Valli, Yamara Viana Sousa, Isabella Drumond Franco, Diego dos Santos Ferreira, Bruno Eduardo Fernandes Mota, Leonardo Rander Asse Junior, Gustavo Claro Monteiro, Renata Barbosa de Oliveira, Joao Lucas Bruno Prates, Erna Geessien Kroon, Thales Kronenberger, Mateus Sá Magalhães Serafim, Vinícius Gonçalves Maltarollo

المساهمون: Universidade Federal de Minas Gerais (UFMG), University Hospital of Tübingen, Universidade Estadual Paulista (Unesp)

المصدر: Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP

مصطلحات موضوعية: Models, Molecular, Staphylococcus aureus, ligand-based virtual screening, medicine.drug_class, Antibiotics, Drug Evaluation, Preclinical, Microbial Sensitivity Tests, MRSA, Reductase, Biology, medicine.disease_cause, Microbiology, 03 medical and health sciences, Antibiotic resistance, FabI inhibitors, Drug Discovery, medicine, Humans, Enzyme Inhibitors, 030304 developmental biology, Pharmacology, 0303 health sciences, Virtual screening, Molecular Structure, 030306 microbiology, similarity search, biology.organism_classification, Enoyl-(Acyl-Carrier-Protein) Reductase (NADH), Anti-Bacterial Agents, antibacterial, Molecular Medicine, Bacteria

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1f1f1f37655299d4333f6a50124b585
https://doi.org/10.4155/fmc-2019-0158