DOCKING STUDY FOR UROLITHIASIS IN SYNADENIUM GRANTIIAbstract
Urolithiasis, also called kidney stone, was caused by a missense mutation in the adenine phosphoribosyl transferase enzyme encoded by the APRT gene. This gene was present in human chromosome 16. In this paper, a comparative study of the effectiveness of six ligands reported in Synadenium grantii was analyzed by docking approach. For this purpose, the effective six ligands that were present in Synedenium grantii were selected, downloaded, and docked with APRT. The interactions of these ligands with APRT were analyzed by docking by using Autodock vina. The selected six ligands were phorbol ester, terpene, flavonoid, tannin, coumarin, and anthraquinone. All these ligands have anti-urolithiatic activity and are used to treat urolithiasis. A docking study by AutoDock vina reveals the interacting amino acid residues that have not been reported yet. Based on interactions of different ligands with APRT, our analysis shows that flavonoid was most effective, followed by terpene, phorbol ester, tannin and coumarin. The results show that anthraquinone was the least effective. The docking study performed by Autodock vina shows that flavonoid was most effective and anthraquinone was least effective.
Archna Sahay *, Mashitha Pise and Hemant Bawankar
Department of, Biochemistry, Bharati Vidyapeeth, Deemed to be University, Rajiv Gandhi Institute of Information Technology and Biotechnology, Pune, Maharashtra, India.
02 August 2022
13 September 2022
21 October 2022
01 April 2023