These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
34. Computational screening of dual inhibitors from FDA approved antiviral drugs on SARS-CoV-2 spike protein and the main protease using molecular docking approach. Sabarimurugan S; Purushothaman I; Swaminathan R; Dharmarajan A; Warrier S; Kothandan S Acta Virol; 2021; 65(2):160-172. PubMed ID: 34130467 [TBL] [Abstract][Full Text] [Related]
35. In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening. Ghaleb A; Aouidate A; Ayouchia HBE; Aarjane M; Anane H; Stiriba SE J Biomol Struct Dyn; 2022 Jan; 40(1):143-153. PubMed ID: 32799761 [TBL] [Abstract][Full Text] [Related]
36. Synthesis, molecular docking analysis, molecular dynamic simulation, ADMET, DFT, and drug likeness studies: Novel Indeno[1,2-b]pyrrol-4(1H)-one as SARS-CoV-2 main protease inhibitors. Gheidari D; Mehrdad M; Bayat M PLoS One; 2024; 19(3):e0299301. PubMed ID: 38517870 [TBL] [Abstract][Full Text] [Related]
38. Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M Ghosh A; Chakraborty M; Chandra A; Alam MP J Mol Model; 2021 Feb; 27(3):97. PubMed ID: 33641023 [TBL] [Abstract][Full Text] [Related]