A comparative study on DNA and protein binding properties of thymol and thymoquinone.
Syed Ismattowaha ParvinMd Kalimuddin MandalPriyanka GopiShweta SinghMahammad Rizwan KhanPrateek PandyaMd Maidul IslamHarun Al Rasid GaziPublished in: Journal of biomolecular structure & dynamics (2023)
Two phytochemicals, thymol and thymoquinone obtained from thymes ( Thymus vulgaris L., Lamiaceae etc. ) and Nagila Sativa seed, respectively. Both the phytochemicals show several biochemical activities like anticancer, antimicrobial etc. In this paper, we studied the affinities of thymol and thymoquinone towards calf thymus DNA (CT-DNA) and protein (bovine serum albumin). Spectroscopic and molecular modelling studies revealed that both compounds have a high affinity toward both the receptors; DNA and protein. Both phytochemicals binds to the minor grooves of DNA and suitable pockets of protein. Several free energy function and hydrogen bonding play significant role during the binding phenomenon.Communicated by Ramaswamy H. Sarma.