Mechanistic insights into novel cyano-pyrimidine pendant chalcone derivatives as LSD1 inhibitors by docking, ADMET, MM/GBSA, and molecular dynamics simulation
通过分子对接、ADMET、MM/GBSA 和分子动力学模拟,深入了解新型氰基嘧啶侧链查尔酮衍生物作为 LSD1 抑制剂的机制。
期刊:Biochemistry and Biophysics Reports
影响因子:2.2
doi:10.1016/j.bbrep.2025.101937
Gupta, Amisha; Parveen, Darakhshan; Azam, Faizul; Shaquiquzzaman, M; Akhter, Mymoona; Jaremko, Mariusz; Emwas, Abdul-Hamid; Khan, Mohammad Ahmed; Parvez, Suhel; Khanna, Suruchi; Palit, Rituparna; Jahangir, Umar; Alam, M Mumtaz