Interaction of procarbazine with calf thymus DNA—a biophysical and molecular docking study. Issue 5 (5th December 2016)

• Record Type: Journal Article
• Authors: Anwer, Razique; Ahmad, Nazia; Al Qumaizi, Khalid I.; Al Khamees, Osama A.; Al Shaqha, Waleed Mohammed; Fatma, Tasneem
• Is Part Of: Journal of molecular recognition. Volume 30:Issue 5(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2016-12-05
• Subjects: calf thymus DNA -- groove binding -- molecular docking -- non‐intercalative binding -- procarbazine; Molecular recognition -- Periodicals; Models, Molecular -- Periodicals; Molecular Conformation -- Periodicals; Molecular Sequence Data -- Periodicals; Molecular Structure -- Periodicals; Carrier Proteins -- Periodicals; 572.8
• DOI: 10.1002/jmr.2599
• Languages: English
• ISSNs: 0952-3499

Abstract

Abstract: Interaction of procarbazine (PCZ) with calf thymus DNA was studied using biophysical and molecular docking studies. Procarbazine was to interact with DNA with a binding constant of 6.52 × 10 3 M −1 as calculated using ultraviolet‐visible spectroscopy. To find out the binding mode, molecular docking was performed that predicted PCZ to interact with DNA through groove binding mode with binding affinity of −6.7 kcal/mole. To confirm the groove binding nature, different experiments were performed. Dye displacement assays confirmed the non‐intercalative binding mode. Procarbazine displaced Hoechst dye from the minor groove of DNA while it was unable to displace intercalating dyes. There was no increase in the viscosity of DNA solution in presence of PCZ. Also, negligible change in the secondary structure of DNA was observed in presence of PCZ as evident by circular dichroism spectra. Procarbazine caused decrease in the melting temperature of DNA possibly because of decrease in the stability of DNA caused by groove binding interaction of PCZ with DNA. Abstract : Interaction of procarbazine with Calf Thymus DNA was studied using different biophysical and molecular docking study. Complex formation was studied using UV‐visible spectroscopy, and while experiments like dye displacement assay, CD spectroscopy, DNA melting study, and viscosity measurements revealed the groove binding nature of procarbazine. Molecular docking study also supported our experimental findings.