Caffeic acid phenethyl ester: A review on its pharmacological importance, and its association with free radicals, COVID-19, and radiotherapyReview Published on 2023-03-012023-07-11 Journal: Phytotherapy research : PTR [Category] COVID19(2023년), [키워드] caffeic acid phenethyl ester Cancer complementary medicine Coronavirus disease 2019 irradiation Molecular docking study Radiotherapy therapeutic benefits. [DOI] 10.1002/ptr.7707 PMC 바로가기 [Article Type] Review
Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessmentSARS-CoV-2에 대한 항 HIV 약물 및 식물성 플라보노이드 조합: 분자 도킹 시뮬레이션 기반 평가Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] acute respiratory syndrome Analysis anti-HIV drug anti-HIV drugs Anti-inflammatory antimalarial drug Antimalarial drugs Antiviral clinical evidence Combination combination therapy combined effect complex coronavirus darunavir docking docking score drug drug-likeness eight enzyme flavonoid genome replication H-bond Health Hypothesis in viral individual Ligand ligands M pro MM/PBSA molecular molecular docking Molecular docking study molecular docking-simulation Patient phyto-flavonoid prophylactic therapy protease Protease inhibitor quercetin respiratory RMSF SARS-CoV-2 selected selective Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus-2 stability viral genome replication [DOI] 10.1080/07391102.2021.1885495 PMC 바로가기 [Article Type] Article
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virusSARS-CoV-2 바이러스의 주요 프로테아제에 대한 침엽수 껍질 추출 시 확인된 화합물의 분자 도킹 및 기계 학습 친화도 예측Article Published on 2022-09-012022-09-11 Journal: Biophysical chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CL pro 3CL(pro) addition antiviral activity approaches Compound compounds docking docking result docking results docking score docking scores Druglikeness evaluate evaluated extraction FIVE machine machine learning molecular molecular docking molecular docking studies Molecular docking study molecular dynamics pharmacological protease SARS-CoV-2 SARS-CoV-2 virus Softwood Softwood bark. solubility TensorFlow the SARS-CoV-2 virus unique [DOI] 10.1016/j.bpc.2022.106854 PMC 바로가기 [Article Type] Article
In Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols’ Potential for Inhibition of SARS-CoV-2 InternalizationAlchemilla viridiflora Rothm-Polyphenols의 SARS-CoV-2 내재화 억제 가능성에 대한 실리코 및 체외 연구Article Published on 2022-08-142022-09-11 Journal: Molecules [Category] SARS, 변종, [키워드] ACE2 Alchemilla viridiflora Rothm. angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 Antiviral agents binding binding energy binding interaction Compound computational studies Computational study Contact COVID-19 COVID-19 pandemic dose doses E484K effective Effectiveness exhibited flavonoid G476S glycoprotein Health higher affinity highest in silico in vitro inhibited inhibition internalization investigated K417N methanol molecular docking studies Molecular docking study Mutation N439K N501Y neuropilin Neuropilin-1 NRP1 outbreak plants polyphenols Potential Prevent quercetin receptor receptors resulting SARS-CoV-2 SARS-CoV-2 strain selected significantly spike glycoprotein tested V483A virus virus infection Virus spike wild strain [DOI] 10.3390/molecules27165174 PMC 바로가기 [Article Type] Article
Anisodamine potently inhibits SARS-CoV-2 infection in vitro and targets its main protease아니소다민은 시험관 내에서 SARS-CoV-2 감염을 강력하게 억제하고 주요 프로테아제를 표적으로 합니다Article Published on 2022-08-062022-09-11 Journal: Biochemical and Biophysical Research Communication [Category] Coronavirus, COVID19(2023년), SARS, 치료제, [키워드] active site acute respiratory disease acute respiratory syndrome acute respiratory syndrome coronavirus Amino acid amino acid residue analyzed Anisodamine Antiviral antiviral activity antiviral agent cells Chinese co-cultured coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Cys145 disease docking score effective drug effective drugs Gly143 H-bond HEK293 immunofluorescence assay in vitro indicated Infection inhibit M pro main protease molecular docking molecular docking studies Molecular docking study pandemic predicted protease pseudovirus entry reduced SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 main protease severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 suppressed target the SARS-CoV-2 therapeutic drug Traditional Chinese medicine treating COVID-19 Treatment treatment of COVID-19 Vero E6 VERO E6 cells viral infection [DOI] 10.1016/j.bbrc.2022.05.024 PMC 바로가기 [Article Type] Article
Repurposing of anti-lung cancer drugs as multi-target inhibitors of SARS-CoV-2 proteins: An insight from molecular docking and MD-simulation studySARS-CoV-2 단백질의 다중 표적 억제제로서 항폐암 약물의 용도 변경: 분자 도킹 및 MD 시뮬레이션 연구로부터의 통찰력Article Published on 2022-08-012022-09-11 Journal: Microbial pathogenesis [Category] COVID19(2023년), SARS, 신약개발, [키워드] Analysis binding affinity binding energy Cancer Capmatinib conformational change COVID-19 drug Dynamics evaluate Glycoproteins highest binding affinity inhibitors of SARS-CoV-2 molecular docking molecular docking studies Molecular docking study molecular dynamics Molecular dynamics simulation MPro pharmacokinetic PLPro Protein repurposing Research RMSD RMSF SARS-CoV-2 selected spike spike glycoprotein spike glycoproteins Spike protein therapeutic therapeutic agent [DOI] 10.1016/j.micpath.2022.105615 PMC 바로가기 [Article Type] Article
Theaflavin 3-gallate inhibits the main protease (M pro) of SARS-CoV-2 and reduces its count in vitroTheaflavin 3-gallate는 SARS-CoV-2의 주요 프로테아제(M pro)를 억제하고 시험관 내에서 그 수를 감소시킵니다.Article Published on 2022-07-302022-09-11 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] active site Analysis Anti-viral Atazanavir darunavir demonstrated docking score drug target exhibited flavin gallate in viral in vitro inhibit inhibited inhibitor Interaction isolate Lopinavir M pro Molecular docking study Particle protease Protein reduce reduced reduction Replication Repurposed drug Repurposed drugs residue SARS-CoV-2 SARS-CoV-2 virus target the SARS-CoV-2 virus theaflavin Vero Cell Vero cells Viral particles viral replication viral transcript viral transcripts [DOI] 10.1038/s41598-022-17558-5 PMC 바로가기 [Article Type] Article
Robust antiviral activity of commonly prescribed antidepressants against emerging coronaviruses: in vitro and in silico drug repurposing studies신종 코로나바이러스에 대해 일반적으로 처방되는 항우울제의 강력한 항바이러스 활성: 시험관 내 및 실리코 약물 용도 변경 연구Article Published on 2022-07-282022-09-11 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 신약개발, 유전자 메커니즘, 치료제, [키워드] activities activity amitriptyline anti-SARS-CoV-2 Anti-SARS-CoV-2 Activity Anti-viral antidepressant antidepressants antiviral activity clinical trials coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 patients Depression disorder disorders drug eating disorders effective Efficacy eight evaluated FDA-approved drug FDA-approved drugs FIVE imipramine in silico in vitro in vivo M pro MERS MERS-CoV migraine molecular docking studies Molecular docking study neuralgia pandemic Paroxetine Patient performed Prophylaxis protease reported symptom Result SARS-CoV-2 sertraline suggested symptomatic and asymptomatic symptoms of depression treating COVID-19 Treatment [DOI] 10.1038/s41598-022-17082-6 PMC 바로가기 [Article Type] Article
Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main proteaseSARS-CoV-2 주요 프로테아제의 공유 결합제로서의 C형 간염 바이러스 NS3/4A 억제제 및 기타 약물 유사 화합물Article Published on 2022-07-162022-09-11 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] 3CL pro active site Antiviral antiviral inhibitor approved binding catalytic cause clinical trials clinically Compound compounds coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 therapeutics Cys145 derivative derivatives drug drug target Evidence global public health hepatitis C hepatitis C virus higher affinity inhibitor M pro maturation molecular docking studies Molecular docking study pandemic polyproteins protease Protein residue SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 main protease Severe acute respiratory syndrome Spread the SARS-CoV-2 genome Vaccine variants virus [DOI] 10.1038/s41598-022-15930-z PMC 바로가기 [Article Type] Article
Peptidomimetic inhibitors of TMPRSS2 block SARS-CoV-2 infection in cell cultureTMPRSS2의 펩티드모방 억제제는 세포 배양에서 SARS-CoV-2 감염을 차단합니다Article Published on 2022-07-082022-09-11 Journal: Communications Biology [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] antiviral agent Antiviral agents Blood camostat Camostat mesylate candidate catalytic site Cell culture clinical development Coagulation comparable Compound COVID-19 COVID-19 therapy Delta Efficacy electrophilic host cell in silico in vitro inhibit inhibit SARS-CoV-2 inhibitors of TMPRSS2 molecular docking studies Molecular docking study omicron plasma Prevent Proteases Protein pseudovirus entry SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 variant selected Serine serum and plasma spike target the SARS-CoV-2 therapy TMPRSS2 TMPRSS2 inhibitor TMPRSS2 inhibitors transmembrane serine protease transmembrane serine protease 2 TRAP viruses [DOI] 10.1038/s42003-022-03613-4 PMC 바로가기 [Article Type] Article