Title:Screening of Potential Plant Compounds as Survivin Inhibitors and its Anti-Cancer Efficacy by Molecular Docking
Volume: 13
Issue: 1
Author(s): Safreen S.D. Amanulla, Sneeha Veerakumar and Kumaresan Ramanathan
Affiliation:
Keywords:
Breast cancer, IGEMDOCK, remangilones A, survivin.
Abstract: Background: Survivin, smallest Inhibitor of Apoptosis Protein (IAP) mediates
apoptosis pathway and cell cycle is tumor specific and therapeutic target for
cancer research. Breast cancer is a dreadful disease with greater mortality rate, commonly
in women globally.
Aim: This study was undertaken to investigate the effect of indigenous Plant drugs
by in-silico determination of antagonist for Survivin protein that was up regulated in
breast cancer.
Materials and Methods: The 3D structure of Survivin protein was retrieved from
PDB (Protein Data Bank). Plant compounds were retrieved from NPACT (Naturally
occurring Plant based Anti-Cancerous Target) database and converted into 3D- PDB format using Open
babel software. Based on the active sites we have screened the essential plant compound as an effective
binder against modelled protein using iGEMDock 2.1.
Results and conclusion: The lead compound of plant as well as plant protein molecule would be scaled
out on the basis of binding efficiency. Remangilones A showed greater interaction effect with Total energy
(-121.465kcal mol-1). However, further in-vivo investigation is essential for the confirmation of
drug efficacy and bio-compatibility.
