Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M^Pro)

Khalil EL Khatabi ¹ , Ilham Aanouz ¹, Marwa Alaqarbeh ², Mohammed Aziz Ajana ¹, Tahar Lakhlifi ¹, Mohammed Bouachrine ^1,3 *

Cited by CrossRef: 5

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2- Guo X, Lin Y, He F, Jin Y, Chen S, Li T, Wu C, Zhang L, Chen X. Identification of active compounds of traditional chinese medicine derived from maxing shigan decoction for COVID-19 treatment: a meta-analysis and in silico study. Expert Review of Anti-infective Therapy. 2023;21(8):871 [Crossref]

3- Pipitò L, Rujan R, Reynolds C, Deganutti G. Molecular dynamics studies reveal structural and functional features of the SARS‐CoV‐2 spike protein. BioEssays. 2022;44(9) [Crossref]

4- Hajji H, Alaqarbeh M, Lakhlifi T, Ajana M, Alsakhen N, Bouachrine M. Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters. Computers in Biology and Medicine. 2022;150:106209 [Crossref]

5- Soudani W, Zaki H, Alaqarbeh M, ELMchichi L, Bouachrine M, Hadjadj-Aoul F. Discover the Medication Potential of Algerian Medicinal Plants Against Sars-Cov-2 Main Protease (Mpro): Molecular Docking, Molecular Dynamic Simulation, and ADMET Analysis. Chemistry Africa. 2023;6(6):2879 [Crossref]

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Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (MPro)

Cited by CrossRef: 5

Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M^Pro)