In silico studies on potential MCF-7 inhibitors of alkaloid and phenolic compounds isolated from Zanthoxylum nitidum: A combination of molecular docking and ADMET analysis

Autor:	Quan Minh PHAM, Thi Hong Minh Pham
Rok vydání:	2023
Zdroj:	Vietnam Journal of Science and Technology.
ISSN:	2815-5874 2525-2518
Popis:	In this study, computational molecular simulation and drug-like properties assessment were used to gain insight into the binding ability of 16 alkaloid and phenolic compounds isolated from Zanthoxylum nitidum on protein tubulin. Amongst studied candidates, compounds 8 and 10 were identified as potential candidates for inhibiting the function of tubulin at the active site regarding binding affinity, dock pose and ADMET properties analysis. These findings shed light on the potential anti-cancer of compounds isolated from Zanthoxylum nitidum.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a4c4c11869e37df1534e0d75ae09b524 https://doi.org/10.15625/2525-2518/16945 Zobrazit plný text záznamu