Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19분자 도킹, 결합 모드 분석, 분자 역학 및 SARS-COV-2 주요 프로테아제에 대한 선택적 전위 항 바이러스제의 ADMET/독성 특성의 예측 : CovID-19에 대항하기위한 약물 용도를 향한 노력Article Published on 2021-08-012022-08-31 Journal: Molecular diversity [Category] SARS, 신약개발, 치료제, [키워드] active site Amino acid amino acid residue amino acid residues Analysis Antiviral antiviral agent Antiviral agents antiviral drug antiviral molecules ARB Arbidol AutoDock binding carried Chloroquine complex COVID-19 crystal structure Cys145 digestion direction docking Docking studies docking study drug design Drug discovery drug target Dynamics/simulation study effort enzyme exhibited FDA-approved drug FDA-approved drugs Glu166 glycyrrhizin GS441524 HCQ HIS163 Hydroxychloroquine in silico indicated inhibitory Interaction lead Ligand M pro mechanism molecular molecular docking molecular docking studies Molecular docking study molecular dynamics molecules MPro not need polyprotein Potential Potential antiviral agents present protease Protein provide RDV reason reason for Remdesivir RMSD SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 main protease (Mpro). selected selective stability starting point starting points suggested tested Toxicity Viral [DOI] 10.1007/s11030-021-10188-5 PMC 바로가기 [Article Type] Article
Evolution and phenotypic characterization of whole HBV genome in compliant patients experiencing unexplained entecavir treatment failureArticle Published on 2021-08-012023-06-12 Journal: Antiviral Research [Category] B형 간염, [키워드] Antiviral agents drug resistance hepatitis B High-throughput nucleotide sequencing microbial [DOI] 10.1016/j.antiviral.2021.105106
In silico approach of secondary metabolites from Brazilian herbal medicines to search for potential drugs against SARS-CoV-2SARS-CoV-2에 대한 잠재적인 약물을 찾기 위한 브라질 생약의 2차 대사산물의 인 실리코(in silico) 접근Review Published on 2021-08-012022-09-11 Journal: Phytotherapy research : PTR [Category] SARS, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus addition anti-SARS-CoV-2 Antiviral agents approach base Brazilian botanical species Compound compounds confirmed case coronavirus COVID-19 COVID-19 treatment database death drug drugs effective evaluated herbal medicine high affinity in silico in silico analysis indicated molecular docking molecular target pandemic parameter Phenolic compounds plants Protein SARS-CoV-2 Secondary Metabolite secondary metabolites selected synthesis therapeutic option these compound these compounds Toxicity Treatment triterpenes. was performed [DOI] 10.1002/ptr.7097 PMC 바로가기 [Article Type] Review
Hepatitis B virus genome diversity in adolescents: Tenofovir disoproxil fumarate treatment effect and HBeAg serocon versionRandomized Controlled Trial Published on 2021-08-012023-06-13 Journal: Journal of viral hepatitis [Category] B형 간염, [키워드] Antiviral agents Shannon entropy ultra-deep sequencing viral persistence [DOI] 10.1111/jvh.13547 [Article Type] Randomized Controlled Trial
Phytochemicals present in Indian ginseng possess potential to inhibit SARS-CoV-2 virulence: A molecular docking and MD simulation study인도 인삼에 존재하는 파이토케미컬은 SARS-CoV-2 독성을 억제할 수 있는 잠재력을 가지고 있습니다: 분자 도킹 및 MD 시뮬레이션 연구Article Published on 2021-08-012022-09-11 Journal: Microbial pathogenesis [Category] SARS, 치료제, [키워드] active site Affect anti-SARS-CoV-2 Antiviral antiviral agent Antiviral agents binding characteristic complex Compound contagious coronavirus drug target effective effort exhibited glucoside In silico studies in vitro in vivo inhibit SARS-CoV-2 inhibitor inhibitory Lopinavir M pro M(pro) MD simulation molecular docking molecular docking studies Molecular docking study molecular dynamics nelfinavir pathogen Pathogens phytochemical phytochemicals protease Protein protein-ligand quercetin rutin rutinoside SARS-CoV-2 silico studies simulation studies Simulation study trajectory Withania somnifera withanolide [DOI] 10.1016/j.micpath.2021.104954 PMC 바로가기 [Article Type] Article
Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation전임상 평가를 통해 SARS-CoV-2 및 이의 변이체에 대한 범-CoV 융합 억제제에 대한 구조 및 기능 기반Article Published on 2021-07-292022-09-10 Journal: Signal Transduction and Targeted Therapy [Category] Fulltext, SARS, 변종, 신약개발, 치료제, [키워드] (alpha administration African Alpha animal models antiviral activity antiviral agent Antiviral agents B.1.1.7 Caco2 Calu Calu-3 Cell fusion cell line cell lines cholesterol clinical development COVID-19 pandemic crystal structure D614G E484K Economy effective functional Gamma hACE2 HR1 domain Infection Infectious diseases inhibitor inhibitors intestinal tissues lung Mutation N501Y peptide peptides pseudotyped SARS-CoV-2 public health reduced S protein safety profile SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 S protein SARS-CoV-2 variant significantly South structural biology target the SARS-CoV-2 transgenic mice Vaccines variant variants Viral viral titer viral titers [DOI] 10.1038/s41392-021-00712-2 PMC 바로가기 [Article Type] Article
A Novel Small Molecule Inhibits Hepatitis C Virus Propagation in Cell CultureResearch Article Published on 2021-07-282022-10-30 Journal: Microbiology Spectrum [Category] Coronavirus, SARS, [키워드] Analysis antiviral agent Antiviral agents antiviral drug Antiviral effect approval caused Cell Cell culture cells line cellular chronic disease chronic infection curative docking study drug Drug discovery Effect HCV HCVcc hepatitis C hepatitis C virus infected cells Infection Infectious virus inhibited JFH-1 mechanism of action molecular molecule morbidity and mortality not affect novel NS5B pandemic Propagation Protein protein expression real-time RT-PCR reduced reduction in Replication RNA RNA polymerase SARS-CoV-2 significantly suggested treated Treatment viral life cycle viral replication Viral RNA virus virus inhibition virus production virus spread virus-infected cell was tested [DOI] 10.1128/Spectrum.00439-21 PMC 바로가기 [Article Type] Research Article
Comparative effectiveness and safety of 32 pharmacological interventions recommended by guidelines for coronavirus disease 2019: a systematic review and network meta-analysis combining 66 trials2019년 코로나바이러스 질병 가이드라인에서 권장하는 32가지 약리학적 중재의 비교 효과 및 안전성: 66건의 시험을 결합한 체계적인 검토 및 네트워크 메타 분석Meta-Analysis Published on 2021-07-272022-09-11 Journal: Chinese medical journal [Category] meta-analysis, SARS, [키워드] 95% CI 95% confidence interval acute respiratory syndrome acute respiratory syndrome coronavirus adverse event Antibiotics antiviral agent Antiviral agents assessment Bayesian framework calculated Chinese Chloroquine ClinicalTrials Cochrane Library Comparative coronavirus coronavirus disease Coronavirus disease 2019 Corticosteroid Corticosteroids COVID-19 cure cure rate development drug effect size Effectiveness Efficacy and safety eight evaluate Evidence followed by global pandemic health problem IFN include increased risk interferon interferons low dose measure moderate Mortality Negative conversion Network meta-analysis Odds ratio other treatments Patient patients with COVID-19 pharmacological intervention pharmacological interventions Primary outcome public health Randomized controlled trial Randomized controlled trials RCT RCTs reduce mortality reduction respiratory risk searched severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 standard care Standard of care systematic review TCM Traditional Chinese medicine Trial Viral was performed [DOI] 10.1097/CM9.0000000000001672 PMC 바로가기 [Article Type] Meta-Analysis
Human Coronaviruses: Counteracting the Damage by StormReview Published on 2021-07-272022-10-28 Journal: Viruses [Category] COVID-19, SARS, [키워드] ADE Antibody-dependent enhancement Antiviral agents caused cell-mediated immune characteristic coronavirus COVID-19 COVID-19 pandemic CoVs Cytokine storm damage disease dysregulated elicit greater HCoV highlight highly pathogenic Human human coronaviruses IFN immune immune response immunopathology IMPROVE Infection interferon long non-coding RNA MERS-CoV obese Outbreaks over overlapping pandemic peptide progression Rapamycin regulated risk factor SARS-CoV-2 severe disease similarity storm suggested T-cell treatment approach Vaccine vaccine response [DOI] 10.3390/v13081457 PMC 바로가기 [Article Type] Review
Drugs repurposed for COVID-19 by virtual screening of 6,218 drugs and cell-based assay6,218 개의 약물 및 세포 기반 분석의 가상 스크리닝에 의해 Covid-19에 대한 용도가 변경된 약물408 Published on 2021-07-272022-08-31 Journal: Proceedings of the National Academy of Sciences of [Category] 신약개발, 치료제, [키워드] anti-SARS-CoV-2 activities Anti-SARS-CoV-2 Activity antiviral agent Antiviral agents antiviral drug antiviral drugs antiviral efficacy applied approach approved approved drug approved drugs Calu Calu-3 caused cell-based assay clinical trial clinically Compound Computational methods concentrations COVID-19 COVID-19 pandemic docking docking-based virtual screening drug drug combination drug combinations Drug repurposing drugs Effect Efficacy emodin False positive False positives Health human Calu-3 cells human lung cells IMPROVE infectious viruses inhibit SARS-CoV-2 inhibiting Interaction omipalisib predicted protease recent reduce reduced Remdesivir Replication reported Repurposed drugs resulting risk RNA-dependent RNA polymerase SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 replication screened Seven Significance similarity Spread synergistic synergistic effects therapy tipifarnib Toxicity treating COVID-19 Treatment Vero cells Virtual screening viruses [DOI] 10.1073/pnas.2024302118 PMC 바로가기 [Article Type] 408