Trends and strategies to combat viral infections: A review on FDA approved antiviral drugsReview Published on 2021-01-142024-09-02 Journal: International journal of biological macromolecules [Category] 대상포진, [키워드] antiviral drugs combination therapies entry inhibitors NNRTIs NRTIs protease inhibitors Virus pandemics [DOI] 10.1016/j.ijbiomac.2021.01.076 PMC 바로가기 [Article Type] Review
Systematic Search for SARS-CoV-2 Main Protease Inhibitors for Drug Repurposing: Ethacrynic Acid as a Potential DrugArticle Published on 2021-01-132022-10-28 Journal: Viruses [Category] COVID-19, [키워드] 3C-like protease 3CL Protease acid Analysis antiviral drug Clinical use coronavirus COVID-19 drug Drug repurposing effective effective inhibitor effort Epidemic global pandemic inhibitor main protease morbidity and mortality MPro occurred outbreak Potential protease protease inhibitors SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 main protease Spread starting point the Coronaviridae the SARS-CoV-2 therapeutic strategy These data treat Vaccine development virus [DOI] 10.3390/v13010106 PMC 바로가기 [Article Type] Article
BANΔIT: B’-Factor Analysis for Drug Design and Structural BiologyBANΔIT: 약물 설계 및 구조 생물학을 위한 B'-인자 분석Article Published on 2021-01-012022-08-31 Journal: Molecular informatics [Category] SARS, 신약개발, [키워드] Analysis analyzed B-factor bioinformatics Biology browser change complexes downloaded drug drug design graphical user interface Interpretation Molecular modeling normalization profile profiles protease inhibitors Protein Protein flexibility. protein structures protein-ligand protein-ligand interactions provide SARS CoV SARS CoV-2 source code Structure toolkit Usability X-ray [DOI] 10.1002/minf.202000144 PMC 바로가기 [Article Type] Article
Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitorsResearch article Published on 2021-01-012022-10-05 Journal: Bioorganic & Medicinal Chemistry [Category] SARS, 신약개발, [키워드] acute respiratory syndrome Anti-viral anti-viral drug caused Combination Compound coronavirus COVID-19 disease drug candidate Drug discovery effective effort enzyme inhibitor insight low molecular weight mental health MPro Non-covalent inhibitor Papain-like protease parameter pharmacokinetic physical PLPro protease Protease activity Protease inhibitor protease inhibitors provide reported SARS-CoV-2 selective Structure-activity relationship (SAR) target unavailability viral replication [DOI] 10.1016/j.bmc.2020.115860 [Article Type] Research article
The SARS-Cov-2 Proliferation Blocked by a Novel and Potent Main Protease Inhibitor via Computer-aided Drug DesignOriginal Article Published on 2021-01-012022-10-30 Journal: Iranian Journal of Pharmaceutical Research : IJPR [Category] COVID-19, [키워드] ADME ADMET Analysis approval Area binding affinity binding energy complex Compound computation coronavirus disease COVID-19 DCCM drug drug design effort In-vitro inhibit Ligand MD simulation MM-PBSA molecular docking Molecular dynamic novel outcome pandemic PCA positive control potent Prevalence protease protease inhibitors residue selected stability surface treat Virtual screening was used were used [DOI] 10.22037/ijpr.2021.114846.15061 PMC 바로가기 [Article Type] Original Article
Structure-Based Virtual Screening to Discover Potential Lead Molecules for the SARS-CoV-2 Main ProteaseSARS-CoV-2 주요 프로테아제에 대한 잠재적 납 분자를 발견하기 위한 구조 기반 가상 스크리닝Article Published on 2020-12-282022-09-11 Journal: Journal of Chemical Information and Modeling [Category] SARS, 변종, 신약개발, 치료제, [키워드] active site active sites affected approach carried catalytic caused Compound conserved coronavirus COVID-19 disease Cys145 cysteine data set data sets dipeptide direction drug design drug target Efficiency enzyme FDA-approved drugs Gene Expression His41 hydrophilic in viral increase increase in inhibitory effect Inhibitory effects Interaction lead M pro molecular molecular dynamics molecule Mutation mutations new strain offer peptide Point mutation Potential proposition protease protease inhibitors protein sequence remained Replication residue residues SARS-CoV-2 screened Screening selected specificity Structural analysis Structure sustenance tetrahydropyran the SARS-CoV-2 transfer tripeptide Viral viral replication Virtual screening virus [DOI] 10.1021/acs.jcim.0c00546 PMC 바로가기 [Article Type] Article
Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical AntiviralsSARS-CoV-2 3CL M pro 활성 부위 공동의 가단성은 임상 항바이러스제의 결합을 촉진합니다Comment Published on 2020-12-012022-09-11 Journal: Structure (London, England : 1993) [Category] SARS, 신약개발, 치료제, [키워드] (telaprevir 3CL 3CL M(pro) 3CL main protease aldehyde binding binding affinity boceprevir caused Cavity clinical COVID-19 pandemic COVID-19 treatment COVID-19 treatments Crystallography drug drug design drug target enzyme enzyme kinetics faster Hepatitis hepatitis C hepatitis C clinical drugs in vitro inhibit SARS-CoV-2 inhibitor inhibitors leupeptin M pro malleability narlaprevir offer protease Protease inhibitor protease inhibitors repurposing repurposing clinical drugs reveal room temperature room temperature X-ray crystallography. SARS-CoV-2 telaprevir temperature the binding affinity the SARS-CoV-2 Vaccines virus replication X-ray crystallography [DOI] 10.1016/j.str.2020.10.007 PMC 바로가기 [Article Type] Comment
Data, Reagents, Assays and Merits of Proteomics for SARS-CoV-2 Research and TestingResearch Published on 2020-11-252022-10-30 Journal: Molecular & Cellular Proteomics : MCP [Category] COVID-19, SARS, [키워드] A549 ACE2 African green monkey Analysis approach BRCA1 Breast cancer Caco-2 Calu-3 can be used cause cell line change changed Chlorocebus clinical proteomics Cohort COVID-19 COVID-19 pandemic COVID-19 research diagnostic diagnostics evaluate Evidence expression expression data facilitate Factor feasibility genomes globe Innate immunity involved kDa label-free quantification manuscript mass spectrometry monitoring parallel reaction monitoring peer-reviewed peptides positive profile protease inhibitors Protein protein expression Proteins proteome proteomic proteomics Region representing Research SARS-CoV-2 SARS-CoV-2 cell SARS-COV-2 infection SARS-CoV-2 proteins SARS-CoV-2 research Spread SRP9 stable-isotope labeling supernatant synthetic synthetic peptide targeted mass spectrometry Testing TMPRSS2 transcriptional regulators Vero Cell Vero E6 Vero E6 cell viral entry viral infection virus widespread [DOI] 10.1074/mcp.RA120.002164 PMC 바로가기 [Article Type] Research
DPL: a comprehensive database on sequences, structures, sources and functions of peptide ligandsDatabase Tool Published on 2020-11-202022-11-01 Journal: Database: The Journal of Biological Databases and [Category] Coronavirus, SARS, [키워드] 3D structure anticancer Antiviral binding collected coronavirus COVID-2019 database Epidemic function I-TASSER include Ligand linear MOST PDB peptide peptides platform predicted protease inhibitors provide receptor Research resource SARS-CoV-2 sequence Structure structures targets unique [DOI] 10.1093/database/baaa089 PMC 바로가기 [Article Type] Database Tool
A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methodsReview Published on 2020-11-032022-10-30 Journal: Journal of Genetic Engineering & Biotechnology [Category] COVID-19, [키워드] 3CLpro Abstract Anti-viral antibiotic applied binding biological activity candidate cause caused complexes computational method COVID-19 pandemic cysteine protease derivatives drug drug-repurposing functional generate identify imperative in silico in silico Approach Infection information inhibit inhibitor inhibitors interacting residues interaction pattern intermolecular interaction Ligand-based virtual screening (LBVS) ligand-bound molecular nucleotide analogues parameter peptides potential therapeutic agent protease protease inhibitors Proteins provide replicase polyprotein SARS-CoV-2 shown stability Structure Structure-based virtual screening (SBVS) structures therapeutic viral replication Virtual screening virulent virus [DOI] 10.1186/s43141-020-00085-z PMC 바로가기 [Article Type] Review