Anni Faridah, Rismi Verawati, Budhi Oktavia, Musa Ghufron, Devi Purnamasari, Muhammad Raffi Ghifari, Linda Rosalina, Putri Azhari, Rahadian Zainul, Viol Dhea Kharisma, Vikash Jakhmola, Maksim Rebezov, A.N.M. Ansori
This study aims to investigate the potential of sinensetin, a compound found in the Cat's Whiskers plant (Orthosiphon aristatus), as an inhibitor in inhibiting uric acid through its interaction with ATP Binding Cassette Sub-Family G Member 2 (ABCG2). The in-silico approach was employed using software tools such as Pymol, PyRx, Protein Plus, and Lepinski Rule. The results of molecular docking analysis using PyRx demonstrated significant interactions between sinensetin and ABCG2, with Binding Affinity values of -6.8, -6.6, and -6.6, and RMSD values of 0, 0.785, and 1.379. The analysis using Protein Plus confirmed the interaction between sinensetin and ABCG2, supporting the previous docking findings. Furthermore, the evaluation of pharmacokinetic parameters using the Lepinski Rule of Five revealed that sinensetin meets the criteria as a potential drug compound, with a molecular weight of 372, no hydrogen bond donors, seven hydrogen bond acceptors, a log P value of 3.345, and a molar reactivity of 98.5. This research provides new insights into the development of uric acid therapy through an in-silico approach, and these findings can serve as a basis for further research involving in vitro and in vivo validation. © 2023 Phcogj.Com.
Faculty of Tourism and Hospitality, Universitas Negeri Padang, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Department of Public Health and Community Medicine, Faculty of Medicine, Universitas Muhammadiyah Surabaya, Indonesia; Department of Radiology, Universitas Awalbros, Pekanbaru, Indonesia; Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, Indonesia; Department of Makeup and Beauty, Faculty of Tourism and Hospitality, Universitas Negeri Padang, Indonesia; Department of Agricultural Technology, Faculty of Agricultural Technology, Universitas Andalas, Padang, West Sumatra, Indonesia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, Indonesia; Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia; Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India; Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, RUSSIAN FEDERATION, Moscow, Russian Federation; Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation
