Virtual Screening of Adenylate Kinase 3 Inhibitors Employing Pharmacophoric Model, Molecular Docking, and Molecular Dynamics Simulations as Potential Therapeutic Target in Chronic Lymphocytic Leukemia

• Published in: Future pharmacology Vol. 1; no. 1; pp. 60 - 79
• Main Authors: Barbosa, Bárbara Lima Fonseca, Freitas, Tulio Resende, Almeida, Michell de Oliveira, Araújo, Sérgio Schusterschitz da Silva, Andrade, Ana Clara, Dornelas, Geovana Gomes, Fiorotto, Julyana Gayva, Maltarollo, Vinicius Gonçalves, Sabino, Adriano de Paula
• Format: Journal Article
• Language: English
• Published: 03.12.2021

Adenylate kinase 3 (AK3) is an enzyme located in the mitochondrial matrix involved in purine homeostasis. This protein has been considered a potential therapeutic target in chronic lymphocytic leukemia (CLL), because the silencing of the AK3 gene has inhibited cell growth in CLL in vitro models. Thi...