title: Interaction of procarbazine with calf thymus DNA-a biophysical and molecular docking study.
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 × 103M-1as 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.
authors.affiliation: Department of Anatomy (Microbiology), College of Medicine, Al Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Kingdom of Saudi Arabia.
authors.forename: Razique
authors.initials: R
authors.lastname: Anwer
authors.affiliation: Department of Biosciences, Jamia Millia Islamia, New Delhi, India.
authors.forename: Nazia
authors.initials: N
authors.lastname: Ahmad
authors.affiliation: Department of Family Medicine, College of Medicine, Al Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Kingdom of Saudi Arabia.
authors.forename: Khalid I
authors.initials: KI
authors.lastname: Al Qumaizi
authors.affiliation: Department of Pharmacology, College of Medicine, Al Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Kingdom of Saudi Arabia.
authors.forename: Osama A
authors.initials: OA
authors.lastname: Al Khamees
authors.affiliation: Department of Pharmacology, College of Medicine, Al Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Kingdom of Saudi Arabia.
authors.forename: Waleed Mohammed
authors.initials: WM
authors.lastname: Al Shaqha
authors.affiliation: Department of Biosciences, Jamia Millia Islamia, New Delhi, India.
authors.forename: Tasneem
authors.initials: T
authors.lastname: Fatma
mesh_terms: D000818:Animals; D001665:Binding Sites; D002417:Cattle; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry* / Q000378:metabolism*; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D011344:Procarbazine / Q000737:chemistry / Q000378:metabolism*; D013696:Temperature; D014783:Viscosity
chemical_list: D011344:Procarbazine; D004247:DNA; C427203:calf thymus DNA
keywords: calf thymus DNA; groove binding; molecular docking; non-intercalative binding; procarbazine