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Mechanistic insights into novel cyano-pyrimidine pendant chalcone derivatives as LSD1 inhibitors by docking, ADMET, MM/GBSA, and molecular dynamics simulation

Cancer presents a formidable and complex foe, standing as one of the foremost contributors to disease-related fatalities across the globe. According to data from the Global Cancer Observatory (GLOBOCAN), projections indicate a staggering 28.4 million cases of cancer, encompassing both new diagnoses...

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Autori principali: Amisha Gupta, Darakhshan Parveen, Faizul Azam, M. Shaquiquzzaman, Mymoona Akhter, Mariusz Jaremko, Abdul-Hamid Emwas, Mohammad Ahmed Khan, Suhel Parvez, Suruchi Khanna, Rituparna Palit, Umar Jahangir, M. Mumtaz Alam
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier 2025-03-01
Serie:Biochemistry and Biophysics Reports
Soggetti:
Cancer
LSD1
Chalcone
Cyano-pyrimidine
Molecular docking
Molecular dynamics
Accesso online:http://www.sciencedirect.com/science/article/pii/S240558082500024X
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