Natural biflavones are potent inhibitors against SARS-CoV-2 papain-like protease천연 비플라본은 SARS-CoV-2 파파인 유사 프로테아제에 대한 강력한 억제제입니다Article Published on 2022-01-012022-09-11 Journal: Phytochemistry [Category] SARS, 치료제, [키워드] Antiviral antiviral immunity cleavage compounds COVID-19 COVID-19 treatment deISGylation. demonstrated effective enzyme exhibited immune evasion in viral inhibitor inhibitors of SARS-CoV-2 inhibitory effect involved molecular docking National natural Natural biflavone nine Papain Papain-like protease promotion protease SARS-CoV-2 Significant Traditional Chinese medicine traditional Chinese medicines Treatment Viral immune evasion viral replication viral spread Virtual screening [DOI] 10.1016/j.phytochem.2021.112984 PMC 바로가기 [Article Type] Article
Understanding the activating mechanism of the immune system against COVID-19 by Traditional Indian Medicine: Network pharmacology approach전통 인도 의학에 의한 COVID-19에 대한 면역 체계의 활성화 메커니즘 이해: 네트워크 약리학 접근Article Published on 2022-01-012022-09-11 Journal: Advances in protein chemistry and structural biolo [Category] SARS, 신약개발, 유전자 메커니즘, [키워드] ACE activating acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 alarm Algorithm alternative medicine approach approved betulinic acid biological process cathepsin cathepsin B cathepsin L cellular clinical trials Compound compounds coronavirus 2 COVID-19 COVID-19 infection determine disease DPP4 drug drug design drug target effective EGFR Emergency use enrichment analyses enrichment analysis Evolution functions gene-gene interaction globe HDAC2 identify IL6 immune system Interaction involved JACOM Kabasura kudineer mechanism medication Medicine molecular docking studies Molecular docking study molecular functions Mutation network network pharmacology Nilavembu kudineer pandemic pathway Pathways performed phenyl plant plants Potential treatment predict raising respiratory RIPK1 SARS-CoV-2 severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 Side effects target targets the SARS-CoV-2 Traditional Traditional Indian Medicine. Transmission transmissions treat treating COVID-19 understanding Vaccine VEGFA Virtual screening was used [DOI] 10.1016/bs.apcsb.2021.11.007 PMC 바로가기 [Article Type] Article
Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug DesignReview Published on 2021-12-302022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, SARS, [키워드] Analysis applied approaches caused Compound computer-aided drug design COVID-19 disease docking drug drug design evaluated Final focused libraries functional global pandemic High-throughput virtual screening IMPROVE in silico drug design Inclusion information inhibitor lack library Ligand majority molecular molecular docking offered potential therapeutic target Protein protocol provided raised receptor reported SARS-CoV-2 Screening structure-based design target targeted libraries Virtual screening were given [DOI] 10.3390/ijms23010393 PMC 바로가기 [Article Type] Review
Repurposing of Drugs for SARS-CoV-2 Using Inverse Docking FingerprintsChemistry Published on 2021-12-282022-10-31 Journal: Frontiers in Chemistry [Category] COVID-19, [키워드] 3CL pro 3CLpro acute respiratory syndrome Antiviral approach approved cause caused claimed Cold Compound compound repurposing compounds conducted controls coronavirus COVID-19 database direct-acting disease docking drug examined FDA-approved drug fingerprint fingerprints FIVE Health humans in silico inhibitors inverse Inverse docking main protease MERS MERS-CoV methodology Middle East molecular docking outbreak pathogenic protease inhibitors Protein Remdesivir reported Repurposed drug repurposing respiratory syndrome coronavirus SARS-CoV virus SARS-CoV-2 SARS-CoV-2 main protease subset Support syndrome the Coronaviridae therapeutic option Viral protein Virtual screening virus was performed was used [DOI] 10.3389/fchem.2021.757826 PMC 바로가기 [Article Type] Chemistry
A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?Review Published on 2021-12-272022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, SARS, [키워드] 3CL-pro inhibitors acute respiratory syndrome analyzed Antiviral cellular ChEMBL Chemical collected Compound Computational chemistry Concentration coronavirus COVID COVID-19 current database DTT effective expressed half-maximal inhibitory concentration in vitro include inhibit inhibitor inhibitory inhibitory activity inhibitory potency landscape M-pro inhibitors protease inhibitors review SARS-CoV-2 the SARS-CoV-2 treat Variation viral replication Virtual screening virus replication [DOI] 10.3390/ijms23010259 PMC 바로가기 [Article Type] Review
Multi-Targeted Approaches and Drug Repurposing Reveal Possible SARS-CoV-2 InhibitorsArticle Published on 2021-12-262022-10-28 Journal: Vaccines [Category] COVID-19, [키워드] binding affinity caused computational analysis conformational country COVID-19 COVID-19 pandemic death docking drug Drug repurposing DrugBank drugs Effectiveness Escalation experimental validation FDA-approved drug Infection inhibitor inhibitors inhibitory lack memory multi-targeted inhibitors NADH non-structural proteins nutraceutical performed Protein repurposing SARS-CoV-2 SARS-CoV-2 proteins structural proteins Treatment Virtual screening [DOI] 10.3390/vaccines10010024 PMC 바로가기 [Article Type] Article
Rescuing the Host Immune System by Targeting the Immune Evasion Complex ORF8-IRF3 in SARS-CoV-2 Infection with Natural Products Using Molecular Modeling Approaches분자 모델링 접근 방식을 사용하여 천연물을 사용한 SARS-CoV-2 감염의 면역 회피 복합체 ORF8-IRF3을 표적으로 하여 숙주 면역 시스템 구출Article Published on 2021-12-232022-09-10 Journal: International Journal of Environmental Research an [Category] SARS, 변종, 진단, [키워드] African Analysis approaches best Bioactivity complex Compound compounds computational method Computational methods COVID-19 infection database determine disease severity Dissociation constant docking drug drugs ENCODE Endoplasmic reticulum followed by help host immune system hydrogen hydrogen bonds immune evasion immune response in silico in vitro in vivo induce inhibitor IRF3 modeling molecular molecular dynamics molecular dynamics simulations natural ORF8 pandemic performed product Protein protocol quercetin reported respiratory rutin SARS-CoV-2 South Stress System targeting Therapeutics these compound these compounds Tribuloside unique upper respiratory variant Virtual screening virus [DOI] 10.3390/ijerph19010112 PMC 바로가기 [Article Type] Article
Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico ApproachArticle Published on 2021-12-182022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] Ability ACE2 receptor addressed Admission Algorithm applied approaches binding binding affinity cells Combination complexes Compound computer-aided drug design COVID-19 docking domain drug effective feature help human cells hydrophobic pocket identify in silico Infection inhibition interactions lack Ligand ligands machine machine learning medication molecular molecular docking molecular dynamics (MD) simulations Molecular simulation natural natural compounds plethora RBD receptor Receptor-binding domain SARS-CoV-2 virus SARS-CoV-2: RBD Specific the RBD the spike protein treat Trial triggered Virtual screening virus was obtained were used [DOI] 10.3390/ph14121328 PMC 바로가기 [Article Type] Article
Entrectinib—A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells엔트렉티닙—인간 폐 조직(HLT) 세포의 SARS-CoV-2 억제제Communication Published on 2021-12-182022-09-10 Journal: International Journal of Molecular Sciences [Category] SARS, 신약개발, 진단, 치료제, [키워드] antiviral assay Antiviral assays antiviral drug antiviral drugs cells COVID-19 COVID-19 outbreak drug candidate drug candidates Drug repurposing entrectinib group Human human cells identify in vitro pharmaceutical companies pseudovirus assay pseudovirus assays Research SARS-CoV-2 Vaccine viral cell entry assays Virtual screening virus vitro pseudovirus assays [DOI] 10.3390/ijms222413592 PMC 바로가기 [Article Type] Communication
Discovery of Bile Acid Derivatives as Potent ACE2 Activators by Virtual Screening and Essential Dynamics가상 스크리닝 및 필수 역학에 의한 강력한 ACE2 활성화제로서의 담즙산 유도체 발견Article Published on 2021-12-162022-09-10 Journal: Journal of Chemical Information and Modeling [Category] SARS, 치료제, [키워드] ACE2 ACE2 expression acid activator addition angiotensin Angiotensin-converting enzyme approach assumed bile binding biochemical cascade Clinical prognosis comparable Compound contributing to COVID-19 COVID-19 disease derivative Diseases docking downregulate Dynamics enzyme Essential event Host host cell in silico in vitro Inflammation Interaction late stage leads life cycle ligands lung mechanism of action molecular molecular dynamics oxidative stress pharmacological potent provide receptor reduction regulated Regulation SARS-CoV-2 SARS-COV-2 infection Screening Spike protein the spike protein therapeutic potential Trigger triggers Ursodeoxycholic acid vessel Viral viral spike protein Virtual screening virus [DOI] 10.1021/acs.jcim.1c01126 PMC 바로가기 [Article Type] Article