Investigation of binding characteristics of Phosphoinositide-dependent kinase-1 (PDK1) co-crystallized ligands through virtual pharmacophore modeling leading to novel anti - PDK1 hits.

CONCLUSION: Eventually, the active hits were docked inside the PDK1 binding pocket and the recognition points between the active hits and the receptor were analyzed that led to the discovery of new scaffolds as potential PDK1 inhibitors.
PMID: 31339076 [PubMed - as supplied by publisher]

Source: Medicinal Chemistry - July 23, 2019 Category: Chemistry Authors: Mansi IA, Al-Sha Er MA, Mhaidat NM, Taha MO, Shahin R Tags: Med Chem Source Type: research