Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL ProteaseSARS-CoV-2 3CL 프로테아제에 대해 최적화된 가상 스크리닝 프로토콜을 설계하고 검증하기 위해 서로 다른 도킹 엔진과 합의 전략을 결합Article Published on 2021-02-042022-09-10 Journal: Molecules [Category] MERS, 신약개발, 치료제, [키워드] 3CL 3CL-Pro anti-SARS-CoV-2 antivirals appear average benefit best binding binding mode binding space carried computational approach Consensus consensus models develop docking docking score docking simulations docking tool Drug repurposing Engine Glide inhibitor isomeric space lack performed plants Predictive Prevent reached resolved resulting SARS-CoV SARS-CoV-2 Screening sensitivity Strategy Structure the SARS-CoV-2 training set Virtual screening were used [DOI] 10.3390/molecules26040797 PMC 바로가기 [Article Type] Article
Synergistic and Antagonistic Drug Combinations against SARS-CoV-2SARS-CoV-2에 대한 시너지 및 길항 약물 조합Article Published on 2021-02-032022-09-11 Journal: Molecular therapy : the journal of the American So [Category] SARS, 신약개발, 치료제, [키워드] amodiaquine antagonistic antiviral efficacy Cell Combination combination therapy combinations coronavirus disease Coronavirus disease 2019 COVID-19 CPE CPE assay demonstrated disease drug Drug administration drug combination drug combinations Drug repurposing drug synergy drugs eight exhibiting food highlight Hydroxychloroquine in silico in silico approaches in silico design in vitro independent knowledge knowledge mining mechanism nitazoxanide nitazoxanide remdesivir combo. notable potential therapies potential therapy Preclinical Testing Remdesivir SARS-CoV-2 synergistic synergy tested therapeutic option treat umifenovir US Food and Drug Administration utility [DOI] 10.1016/j.ymthe.2020.12.016 PMC 바로가기 [Article Type] Article
Repurposing of Tetracyclines for COVID-19 Neurological and Neuropsychiatric Manifestations: A Valid Option to Control SARS-CoV-2-Associated Neuroinflammation?Letter to the Editor Published on 2021-02-032023-06-16 Journal: Journal of neuroimmune pharmacology : the official [Category] MERS, [키워드] COVID-19 doxycycline Drug repurposing Minocycline Neuroinflammation SARS-COV-2 infection [DOI] 10.1007/s11481-021-09986-3 PMC 바로가기 [Article Type] Letter to the Editor
Identification of existing pharmaceuticals and herbal medicines as inhibitors of SARS-CoV-2 infectionSARS-CoV-2 감염 억제제로서의 기존 의약품 및 한약의 식별422 Published on 2021-02-022022-09-10 Journal: Proceedings of the National Academy of Sciences of [Category] MERS, 변종, 신약개발, 치료제, [키워드] 3CL addition Amino acid amino acid sequence animal models animals antibody Antiviral antiviral agent approved assays caused cell-based and animal studies Compound Concentration confirmed case COVID-19 death disease drug Drug administration Drug repurposing effective Efficacy enzymatic assay evaluate food Food and Drug Administration global pandemic glycosylated hamster hamsters herbal medicine herbal medicines Human identification in vitro in vivo Infection inhibitors of SARS-CoV-2 mefloquine Mentha molecular Mutation nelfinavir outbreak pandemic Perilla frutescen Perilla frutescens protease Remdesivir reported RNA polymerase RNA-dependent RNA polymerase SARS-CoV-2 SARS-COV-2 infection Screen sequence Significance small molecule Small molecules Spike protein tested the disease Treatment Trimeric spike protein Vaccines variant Viral viral surface virus water [DOI] 10.1073/pnas.2021579118 PMC 바로가기 [Article Type] 422
The growing complexity of COVID-19 drug and vaccine candidates: challenges and critical transitionsCOVID-19 약물 및 백신 후보의 복잡성 증가: 도전과제 및 중요한 전환Review Published on 2021-02-012022-09-11 Journal: Journal of infection and public health [Category] 변종, 신약개발, 임상, 치료제, [키워드] affected approved Characteristics clinical trial Computational docking coronavirus COVID-19 Critical drug Drug repurposing drug therapy group health systems infecting Intervention life Mutation organism pandemic radical cure Research SARS-CoV-2 significantly higher therapy Transmissibility Trial Vaccine [DOI] 10.1016/j.jiph.2020.12.009 PMC 바로가기 [Article Type] Review
Kinetic Characterization and Inhibitor Screening for the Proteases Leading to Identification of Drugs against SARS-CoV-2Article Published on 2021-02-012023-07-02 Journal: Antimicrobial Agents and Chemotherapy [Category] SARS, [키워드] 3CLpro antivirals COVID-19 Drug repurposing inhibitors PLpro SARS-CoV-2 [DOI] 10.1128/AAC.02577-20 PMC 바로가기
Screened antipsychotic drugs inhibit SARS-CoV-2 binding with ACE2 in vitroResearch article Published on 2021-02-012022-10-05 Journal: Life sciences [Category] SARS, 신약개발, [키워드] ACE2 ACE2 protein acting Amino acid antipsychotic antipsychotic drug Antipsychotic drugs Antiviral antiviral activity APD applied bind binding binding site cell membrane cells CMC compounds coronavirus coronavirus disease COVID-19 COVID-19 infection demonstrated detect DNA replication drug Drug repurposing drugs effective exhibited FIVE globe Hepatitis B virus HIV infection host cell in vitro inhibit inhibit SARS-CoV-2 MERS-CoV molecular docking pandemic Phenothiazines protective effect pseudotype virus Replication reported SARS-CoV SARS-CoV-2 screened selected Significance significantly subsequent synergistic therapy tiapride virus [DOI] 10.1016/j.lfs.2020.118889 [Article Type] Research article
Viral pandemic preparedness: A pluripotent stem cell-based machine-learning platform for simulating SARS-CoV-2 infection to enable drug discovery and repurposing바이러스 대유행 대비: SARS-CoV-2 감염을 시뮬레이션하여 약물 발견 및 용도 변경을 지원하는 만능 줄기 세포 기반 기계 학습 플랫폼Article Published on 2021-02-012022-08-31 Journal: Stem cells translational medicine [Category] SARS, 신약개발, [키워드] alveolar Antiviral approved drug Cell clinical study clinical testing clinical trial Combination computer simulations creating DeepNEU distribution drug drug combination drug combinations Drug discovery drug discovery and repurposing Drug repurposing effective evaluate global pandemic identify imperative IMPROVE infected with SARS-CoV-2 lab lab data lung cell machine-learning Outbreaks pandemic pandemic preparedness performed platform potential therapeutic target potential therapeutic targets repurposing Research SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 virus the SARS-CoV-2 virus therapeutic option therapeutic target unsupervised learning unsupervised learning. Vaccine Vaccine development Viral viral genome [DOI] 10.1002/sctm.20-0181 PMC 바로가기 [Article Type] Article
Insights of Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV-2) pandemic: a current reviewReview Published on 2021-02-012022-10-27 Journal: Biological Procedures Online [Category] COVID-19, [키워드] ACE-2 ACE-2 receptor ancestor antiviral drugs approaches approval Arbidol Azithromycin cause causes China chlorpromazine coronavirus country COVID-19 COVID-19 pandemic development domain drug Drug repurposing Evolution gastrointestinal systems group HCQ Health Organization Human human Angiotensin-converting enzyme insight Lopinavir membranes Novel coronavirus Oritavancin pandemic pandemic era rapid test kit receptors recommendation Research resource respiratory RT-PCR SARS-CoV-2 Support Treatment Trial Vaccine virulent WHO [DOI] 10.1186/s12575-020-00141-5 PMC 바로가기 [Article Type] Review
Drug repurposing approach to combating coronavirus: Potential drugs and drug targetsReview Published on 2021-01-312023-06-14 Journal: Medicinal research reviews [Category] MERS, SARS, [키워드] anti-CoV coronavirus COVID-19 Drug repurposing drug targets MERS-CoV SARS-CoV SARS-CoV-2 small molecule drugs [DOI] 10.1002/med.21763 PMC 바로가기 [Article Type] Review