Identification of Phosphatidylinositol 3-kinase δ (PI3Kδ) Inhibitor: Pharmacophore-based Virtual Screening and Molecular Dynamics Simulation

Identification of Phosphatidylinositol 3-kinase δ (PI3Kδ) Inhibitor: Pharmacophore-based Virtual Screening and Molecular Dynamics Simulation

Phosphatidylinositol 3-kinase δ (PI3Kδ) is a validated drug target for the treatment of cancer. The present study aims to search for new inhibitors of PI3Kδ by employing pharmacophore modelling using LigandScout Advanced 4.3 software. The three hydrogen bond acceptors and two hydrophobic features we...

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Bibliographic Details
Main Authors: Muhammad Arba, Malindo Sufriadin, Daryono Hadi Tjahjono
Format: Article
Language:English
Published: Universitas Gadjah Mada 2020-07-01
Series:Indonesian Journal of Chemistry
Subjects:
pi3k
molecular docking
pharmacophore modeling
molecular dynamics simulation
Online Access:https://jurnal.ugm.ac.id/ijc/article/view/47327

Internet

https://jurnal.ugm.ac.id/ijc/article/view/47327

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