Finding potential inhibitors for Main protease (Mpro) of SARS-CoV-2 through virtual screening and MD simulation studiesOriginal Article Published on 2023-10-202024-09-05 Journal: Saudi Journal of Biological Sciences [Category] update2024, [키워드] COVID-19 main protease (Mpro) MD simulation SARS-CoV-2 Virtual screening [DOI] 10.1016/j.sjbs.2023.103845 PMC 바로가기 [Article Type] Original Article
Identification of histidine kinase inhibitors through screening of natural compounds to combat mastitis caused by Streptococcus agalactiae in dairy cattlearticle Published on 2023-09-262024-09-05 Journal: Journal of Biological Engineering [Category] update2024, [키워드] animal health cattle mastitis molecular dynamics Veterinary drug Virtual screening [DOI] 10.1186/s13036-023-00378-0 PMC 바로가기 [Article Type] article
Identification of potential new COVID-19 treatments via RWD-driven drug repurposingarticle Published on 2023-09-042024-09-05 Journal: Burma Med J [Category] update2024, [키워드] Drug development Virtual screening [DOI] 10.1038/s41598-023-40033-8 PMC 바로가기 [Article Type] article
A multi-targeted computational drug discovery approach for repurposing tetracyclines against monkeypox virusarticle Published on 2023-09-042024-09-05 Journal: Burma Med J [Category] update2024, [키워드] Virtual drug screening Virtual screening [DOI] 10.1038/s41598-023-41820-z PMC 바로가기 [Article Type] article
Virtual high-throughput screening: Potential inhibitors targeting aminopeptidase N (CD13) and PIKfyve for SARS-CoV-2article Published on 2023-07-072024-09-05 Journal: Open Life Sciences [Category] update2024, [키워드] CD13 Drug repurposing PIKfyve potential inhibitor SARS-CoV-2 Virtual screening [DOI] 10.1515/biol-2022-0637 PMC 바로가기 [Article Type] article
An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffoldsarticle Published on 2023-06-062024-09-05 Journal: Burma Med J [Category] update2024, [키워드] Data acquisition Respiratory tract diseases Virtual drug screening Virtual screening [DOI] 10.1038/s41598-023-35671-x PMC 바로가기 [Article Type] article
Dihydroergotamine ameliorates liver fibrosis by targeting transforming growth factor β type II receptorBasic Study Published on 2023-05-282024-09-05 Journal: World journal of gastroenterology [Category] update2024, [키워드] dihydroergotamine drug-repurposing Liver fibrosis TGFβ type II receptor (TGFβR2) Transforming growth factor β (TGFβ) signaling pathway Virtual screening [DOI] 10.3748/wjg.v29.i20.3103 PMC 바로가기 [Article Type] Basic Study
Roles of Virtual Screening and Molecular Dynamics Simulations in Discovering and Understanding Antimalarial DrugsArticle Published on 2023-05-262024-08-29 Journal: International Journal of Molecular Sciences [Category] 말라리아, [키워드] docking in silico machine learning malaria molecular dynamics Virtual screening
Computational design of medicinal compounds to inhibit RBD-hACE2 interaction in the Omicron variant: unveiling a vulnerable target siteArticle Published on 2023-05-252024-09-05 Journal: Informatics in Medicine Unlocked [Category] update2024, [키워드] BA.2 hACE2 MD simulation RBD SARS-CoV-2 Virtual screening [DOI] 10.1016/j.imu.2023.101281 PMC 바로가기 [Article Type] Article
Discovery of dual S-RBD/NRP1-targeting peptides: structure-based virtual screening, synthesis, biological evaluation, and molecular dynamics simulation studiesarticle Published on 2023-05-172024-09-05 Journal: Journal of Enzyme Inhibition and Medicinal Chemistry [Category] update2024, [키워드] dual inhibitors Neuropilin-1 Receptor-binding domain SARS-CoV-2 Virtual screening [DOI] 10.1080/14756366.2023.2212327 PMC 바로가기 [Article Type] article