Title : In silico hit optimization toward AKT inhibition: fragment-based approach, molecular docking and molecular dynamics study.

Pub. Date : 2019 Oct

PMID : 30477412






1 Functional Relationships(s)
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1 This work describes the computational search for new inhibitors using a hit optimization process of the previously reported AKT pan inhibitor, a 2,4,6-trisubstituted pyridine. pyridine AKT serine/threonine kinase 1 Homo sapiens