Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddingsArticle Published on 2023-12-012022-11-15 Journal: Journal of Enzyme Inhibition and Medicinal Chemist [Category] [DOI] 10.1080/14756366.2022.2132486 PMC 바로가기
Virtual screening of quinoline derived library for SARS-COV-2 targeting viral entry and replicationArticle Published on 2022-11-012022-11-15 Journal: Journal of biomolecular structure & dynamics [Category] [DOI] 10.1080/07391102.2021.1913228 PMC 바로가기
Lucidenic acid A inhibits the binding of hACE2 receptor with spike protein to prevent SARS-CoV-2 invasionArticle Published on 2022-11-012022-11-15 Journal: Food and chemical toxicology : an international jo [Category] [DOI] 10.1016/j.fct.2022.113438 PMC 바로가기
Multi-target mechanisms against coronaviruses of constituents from Chinese Dagang Tea revealed by experimental and docking studies실험 및 도킹 연구를 통해 밝혀진 중국 Dagang Tea 성분의 코로나바이러스에 대한 다중 표적 메커니즘Article Published on 2022-10-282022-09-11 Journal: Journal of ethnopharmacology [Category] [DOI] 10.1016/j.jep.2022.115528 PMC 바로가기 [Article Type] Article
[Virtual screening of active ingredients of traditional Chinese medicine in treating COVID-19 based on molecular docking and molecular dynamic simulation]Article Published on 2022-10-252023-07-10 Journal: Sheng wu yi xue gong cheng xue za zhi = Journal of biomedical engineering = [Category] [DOI] 10.7507/1001-5515.202205021 PMC 바로가기
The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological EvaluationArticle Published on 2022-10-092022-11-15 Journal: Molecules [Category] [DOI] 10.3390/molecules27196710 PMC 바로가기
Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulationsArticle Published on 2022-10-012022-11-15 Journal: Molecular diversity [Category] [DOI] 10.1007/s11030-022-10394-9 PMC 바로가기
Artificial Neural Network-Based Study Predicts GS-441524 as a Potential Inhibitor of SARS-CoV-2 Activator Protein Furin: a Polypharmacology ApproachArticle Published on 2022-10-012022-11-15 Journal: Applied biochemistry and biotechnology [Category] [DOI] 10.1007/s12010-022-03928-2 PMC 바로가기
Virtual screening and molecular dynamics simulation for identification of natural antiviral agents targeting SARS-CoV-2 NSP10Short communication Published on 2022-10-012022-10-05 Journal: Biochemical and Biophysical Research Communication [Category] [DOI] 10.1016/j.bbrc.2022.08.029 [Article Type] Short communication
Cotton flower metabolites inhibit SARS-CoV-2 main proteaseArticle Published on 2022-10-012022-11-15 Journal: FEBS Open Bio [Category] [DOI] 10.1002/2211-5463.13477 PMC 바로가기