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In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin

Afriza, Dhona and Suriyah, Wastuti Hidayati and Arief Ichwan, Solachuddin Jauhari (2018) In silico analysis of molecular interactions between the anti- apoptotic protein survivin and dentatin, nordentatin, and quercetin. In: 2nd Physics and Technologies in Medicine and Dentistry Symposium (PTMDS 2018), 18th July 2018, West Java, Indonesia.

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Abstract

Survivin is a member of the inhibitor of apoptosis (IAP) family and is reportedly overexpressed in various types of human malignancies. Because the phytochemical compounds dentatin, nordentatin, and quercetin have demonstrated antiproliferative effects in various cancer cell lines, we compared their binding affinities for survivin in silico. Molecular docking analyses were performed using PyMol, Discovery Studio Biovia 2017, AutoDock Vina, and AutoDock Tools version 1.5.4. These computations indicated greater survivin binding affinity of quercetin (ΔG −7.0 kcal/mol) than nordentatin and dentatin (ΔG −6.5 and −5.5 kcal/mol, respectively), but suggest that all three compounds act as ligand inhibitors of survivin. The present data warrant validation using in vitro and in vivo assays.

Item Type: Conference or Workshop Item (Plenary Papers)
Additional Information: 5731/66687
Uncontrolled Keywords: In silico analysis, molecular interactions,anti- apoptotic protein, survivin, dentatin, nordentatin, quercetin
Subjects: R Medicine > RM Therapeutics. Pharmacology > RM300 Drugs and their action
R Medicine > RS Pharmacy and materia medica > RS192 Materia Medica-Pharmaceutical Technology
Kulliyyahs/Centres/Divisions/Institutes: Kulliyyah of Dentistry
Kulliyyah of Dentistry > Fundamental Dental and Medical Sciences
Depositing User: Dr. Solachuddin J.A. Ichwan
Date Deposited: 17 Oct 2018 11:45
Last Modified: 02 Jan 2019 12:06
URI: http://irep.iium.edu.my/id/eprint/66687

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