Computational exploration of acefylline derivatives as MAO-B inhibitors for Parkinson's disease: insights from molecular docking, DFT, ADMET, and molecular dynamics approaches.

Autor: Irfan, Ali1, Zahoor, Ameer Fawad1 fawad.zahoor@gcuf.edu.pk, Boulaamane, Yassir2, Javed, Sadia3, Hameed, Huma4, Maurady, Amal2, Muhammed, Muhammed Tilahun5, Ahmad, Sajjad6,7,8, Al-Mutairi, Aamal A.9, Shahzadi, Irum1, Al-Hussain, Sami A.9, Zaki, Magdi E. A.9 mezaki@imamu.edu.sa, Bautista, Óscar10, Cichero, Elena11, Ece, Abdulilah12
Zdroj: Frontiers in Chemistry. 2024, p1-20. 20p.
Databáze: Academic Search Ultimate
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