Comprehensive Nonclinical Safety Assessment of Nirmatrelvir Supporting Timely Development of the SARS-COV-2 Antiviral Therapeutic, Paxlovid™SARS-COV-2 항바이러스 치료제 Paxlovid™의 적시 개발을 지원하는 Nirmatrelvir의 포괄적인 비임상 안전성 평가Article Published on 2022-08-012022-09-11 Journal: International journal of toxicology [Category] 치료제, [키워드] 3CL administration Antiviral Arrhythmias assessment blood pressure cardiovascular caused clinical development Clinical pathology coagulation time Comprehensive conducted COVID-19 COVID-19 patient COVID-19 patients death decrease decreases development dose Drug safety Effect Efficacy Endpoint enhancer enzyme functional heart rate high risk highest dose Hospitalization Increases increases in induce Infection locomotor male MPro nervous system Nirmatrelvir not affect pathology Paxlovid pharmacokinetic Potential produced profile protease RATs Replication respiratory rate Ritonavir Safety safety pharmacology SARS-CoV-2 SARS-CoV-2 virus Support Supporting target tested the SARS-CoV-2 virus toxicities Toxicity toxicology transaminase transaminases Treatment treatment of COVID-19 were assessed [DOI] 10.1177/10915818221095489 PMC 바로가기 [Article Type] Article
Developing evolution-resistant drugs for COVID-19COVID-19에 대한 진화 내성 약물 개발Editorial Published on 2022-07-262022-09-11 Journal: eLife [Category] Coronavirus, COVID19(2023년), SARS, 변종, 치료제, [키워드] Affect COVID-19 deep mutational scanning develop Developing drug effective Evolutionary biology help Infectious disease main protease Microbiology MPro Mutation protease researcher S. cerevisiae SARS-CoV-2 variant virus [DOI] 10.7554/eLife.81334 PMC 바로가기 [Article Type] Editorial
Solanaceae Family Phytochemicals as Inhibitors of 3C-Like Protease of SARS-CoV-2: An In Silico AnalysisSARS-CoV-2의 3C 유사 프로테아제 억제제로서의 가지과 식물 화학물질: 실리코 분석Article Published on 2022-07-252022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] anthocyanidins anthocyanin anthocyanins Antiviral binding energy booster doses caused China Compound coronavirus SARS-CoV-2 country COVID-19 death derivative dose drug drugs Effectiveness eggplant examined family global pandemic in silico incanumine. Infection MPro phytochemical predicted protease Research resulting Russia SARS-CoV-2 SARS-CoV-2 replication silico studies Solanaceae the vaccine USA vaccinate Vaccine Vaccines virus Wuhan Wuhan, China [DOI] 10.3390/molecules27154739 PMC 바로가기 [Article Type] Article
In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts of Nigella sativa and Pimpinella anisum as Potential Inhibitors of 3CL Protease of SARS-CoV-2SARS-CoV-2의 3CL 프로테아제의 잠재적 억제제로서 Nigella sativa 및 Pimpinella anisum의 종자 추출물을 포함하는 산화아연 기반 나노구조 오일 운반체에 대한 실리코 연구Article Published on 2022-07-042022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 변종, [키워드] 3CL 3CLpro acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 addition applicability candidate carrier characterized clinical trials Compound compounds conformational change coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 docking explained Extract Health histogram imperative inhibitor investigated Ligand ligands MD simulation mixture molecular molecular docking molecular docking studies molecular dynamic simulation molecular dynamics Molecular dynamics simulation MPro nanostructure Nigella Nigella Sativa Oil oleuropein Oxide pandemic Pimpenella anisum Potential protease Protein Research RMSD RMSF SARS-CoV-2 SARS-CoV-2 main protease seed selected stability structural proteins the SARS-CoV-2 trajectory Vaccines variant Zinc zinc oxide zinc oxide nanoparticles [DOI] 10.3390/molecules27134301 PMC 바로가기 [Article Type] Article
Biflavonoids from Rhus succedanea as probable natural inhibitors against SARS-CoV-2: a molecular docking and molecular dynamics approachSARS-CoV-2에 대한 가능한 천연 억제제로서의 Rhus succedanea의 비플라보노이드: 분자 도킹 및 분자 역학 접근Article Published on 2022-07-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 치료제, [키워드] affinity Antiviral antiviral activity approach Biflavonoid biflavonoids binding affinities binding affinity binding mode binding modes binding site Bioflavonoid catalytic catalytic site complexes Compound conformational coronavirus COVID-19 drug Drug development drugs effective vaccine Effective vaccines enzyme fluctuations highlight human population hydrophilic hydrophobic in viral in vitro in vivo inhibitor initial Interaction less molecular molecular docking molecular dynamic simulation molecular dynamic simulations molecular dynamics Molecular dynamics simulation molecular interaction MPro Mpro protein outbreak Panic protease provide Replication reported researcher residues Rhus Rhus succedanea RNA viruses Safe SARS-CoV-2 SARS-CoV-2 Mpro therapeutic threat unavailability viral replication virus worldwide pandemic [DOI] 10.1080/07391102.2020.1858165 PMC 바로가기 [Article Type] Article
Phytochemical Analysis, Antimutagenic and Antiviral Activity of Moringa oleifera L. Leaf Infusion: In Vitro and In Silico StudiesMoringa oleifera L. 잎 주입의 식물화학적 분석, 항돌연변이 및 항바이러스 활성: 시험관 내 및 실리코 연구Article Published on 2022-06-222022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] activity Analysis analyzed anti-DNA damage antioxidant Antiviral AutoDock binding energy butylated hydroxytoluene carried chromone Compound COVID-19 Deoxyribonucleic acid determine DIPHENYL DNA DPPH Factor FIVE flavonoid flavonoids free radical gallic acid glucoside IC50 in silico in vitro information infusion inhibit Interaction involved kaempferol kelor. LC-MS leaf Liquid chromatography maintain Malnutrition mass spectrometry molecular docking Moringa Moringa oleifera MPro overcome phytochemical Plasmid positive controls Prevent protease PROTECT quercetin SARS-CoV-2 SARS-CoV-2 main protease silico studies silico study the SARS-CoV-2 treated was measured water [DOI] 10.3390/molecules27134017 PMC 바로가기 [Article Type] Article
Exploring the potential mechanism of emetine against coronavirus disease 2019 combined with lung adenocarcinoma: bioinformatics and molecular simulation analyses폐 선암과 결합된 코로나바이러스 질병 2019에 대한 에메틴의 잠재적 메커니즘 탐색: 생물정보학 및 분자 시뮬레이션 분석Article Published on 2022-06-222022-09-11 Journal: BMC Cancer [Category] COVID19(2023년), SARS, 유전자 메커니즘, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis Atla binding bioinformatics bioinformatics analyses BTK CCL20 conducted connectivity coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Cox proportional hazard DDP4 differentially expressed docking DPP4 drug drugs effective Emetine ENhance exhibited furin groups IL6 inhibit Intersection lack LDHA lung lung adenocarcinoma Map MD simulation MIF molecular molecular docking molecular dynamics Molecular simulation MPro network network pharmacology Patient performed potential mechanism potential mechanisms PRF1 Prognosis protease Replication replication of SARS-CoV-2 risk SARS-CoV-2 Screen screened SDK1 SERPING1 severe acute respiratory syndrome Coronavirus SLC6A4 target therapeutic target Transcriptome TRPA1 Tumor tumor immunity ZIC5 [DOI] 10.1186/s12885-022-09763-2 PMC 바로가기 [Article Type] Article
Comprehensive fitness landscape of SARS-CoV-2 M pro reveals insights into viral resistance mechanismsSARS-CoV-2 M pro의 종합적인 피트니스 환경은 바이러스 저항 메커니즘에 대한 통찰력을 보여줍니다Article Published on 2022-06-202022-09-11 Journal: eLife [Category] COVID19(2023년), SARS, 변종, 유전자 메커니즘, 치료제, [키워드] active site acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus-2 addition Amino acid amino acid changes amino acids analyzed Anti-viral drugs can be used cleave Complete Comprehensive conserved contribute Coronavirus-2 correlated Critical deep mutational scanning deep sequencing defined drug drug design drug resistance Effect effective elicit evade Evolution Evolutionary biology expression functional human population Infectious disease inhibitor inhibitors life cycle M pro main protease mechanism Microbiology MPro Mutation network new strain performed physically protease Protein reduced reveal S. cerevisiae SARS-CoV-2 SARS-CoV-2 main protease selection pressure Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus Toxicity Vaccines variant viral life cycle Viral resistance virulent yeast [DOI] 10.7554/eLife.77433 PMC 바로가기 [Article Type] Article
A Study of Drug Repurposing to Identify SARS-CoV-2 Main Protease (3CLpro) InhibitorsSARS-CoV-2 주요 프로테아제(3CLpro) 억제제 식별을 위한 약물 용도 변경 연구Article Published on 2022-06-092022-09-11 Journal: International Journal of Molecular Sciences [Category] Coronavirus, COVID19(2023년), SARS, 신약개발, 치료제, [키워드] 3CL 3CLpro acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Administered Antiviral antiviral activity artificial artificial intelligence caused Cell Combination Compound compounds coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 cynarine cytotoxicity docking drug Drug repurposing eravacycline FRET in silico in vitro infected with SARS-CoV-2 inhibitory activity inhibitory compounds intelligence MPro outbreak phase prexasertib protease repurposing safety profile SARS-CoV-2 SARS-CoV-2 3CL protease SARS-CoV-2 main protease selected severe acute respiratory syndrome Coronavirus tested the disease Treatment trials Vaccine VeroE6 cell VeroE6 cells were used [DOI] 10.3390/ijms23126468 PMC 바로가기 [Article Type] Article
Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19Research article Published on 2022-06-012022-10-05 Journal: Computers in biology and medicine [Category] COVID19(2023년), SARS, 치료제, [키워드] affected antiviral drug approved binding binding pocket caused complexes computational tool COVID-19 COVID-19 pandemic docking inhibitor Interaction knowledge Ligand Main proteases mechanism molecular molecular docking molecular dynamic simulation Molecular dynamics simulation MPro mutated phytochemicals protease Protein RdRP RNA-dependent RNA polymerase SARS-CoV-2 Side effect stability Steered dynamic simulation strain suggested targets therapeutic Therapeutic approach therapeutic efficacy Vaccine vaccine candidate virus [DOI] 10.1016/j.compbiomed.2022.105468 [Article Type] Research article