ArticleViewAbstractPharmacognosy Journal,2023,15,4,512-517.DOI:10.5530/pj.2023.15.111Published:August 2023Type:Original Article In Silico Study of Rhamnocitrin Extract from Clove Syzygium Aromaricum in Inhibiting Adenosine A1 Adenylate Cyclase InteractionNita Yessirita, Rismi Verawati, Devi Purnamasari, Rollando Rollando, Riso Sari Mandeli, Muhammad Thoriq Albari, Putri Azhari, Rahadian Zainul, Viol Dhea Kharisma, Vikash Jakhmola, Maksim Rebezov, and ANM Ansori Nita Yessirita1, Rismi Verawati2, Devi Purnamasari3, Rollando Rollando4, Riso Sari Mandeli5, Muhammad Thoriq Albari6, Putri Azhari7, Rahadian Zainul2,8,*, Viol Dhea Kharisma9,10, Vikash Jakhmola11, Maksim Rebezov12,13, ANM Ansori9,10,11 1Agricultural Product Technology Study Program, Faculty of Agriculture, Universitas Ekasakti, INDONESIA. 2Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, INDONESIA. 3Department of Radiology, Universitas Awalbros, Pekanbaru, INDONESIA. 4Program of Pharmacy, Faculty of Science and Technology, Universitas Ma Chung, Malang 65151, INDONESIA. 5Environmental and Policy Researcher, Environmental Science Program, Universitas Negeri Padang, INDONESIA. 6Informatics Engineering, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA. 7Department of Agricultural Technology, Faculty of Agricultural Technology, Universitas Andalas, Padang, West Sumatra, INDONESIA. 8Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, INDONESIA. 9Faculty of Science and Technology, Universitas Airlangga, Surabaya, INDONESIA. 10Generasi Biologi Indonesia Foundation, Gresik, INDONESIA. 11Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA. 12Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, RUSSIAN FEDERATION. 13Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION. Abstract:This study aims to analyze the potential of Rhamnocitrin, a compound found in clove extract (Syzygium aromaticum), as an inhibitor of Adenylate Cyclase through an in-silico approach. The research method involves the use of software such as Pymol, PyRx, Protein Plus, and Lipinski Rule for molecular interaction analysis and physicochemical characterization of Rhamnocitrin. The analysis results show that Rhamnocitrin has significant affinity towards Adenosine A1 with Binding Affinity values of -6.1, -5.8, and -5.7. RMSD analysis indicates good stability of the formed protein-ligand complexes, with RMSD values of 0, 3.129, and 3.696. Analysis using Protein Plus software reveals the interaction between Rhamnocitrin and Adenosine A1, while the lipinski analysis shows physicochemical characteristics of Rhamnocitrin that meet important criteria, such as a mass of 300, 3 hydrogen bond donors, 6 hydrogen bond acceptors, log P of 2.6, and molar reactivity of 77.27. These findings provide new insights into the development of potential therapies involving clove extract and Rhamnocitrin as inhibitors of Adenylate Cyclase, and further research is needed to validate their effectiveness and safety. Keywords:Adenosine A1, Adenylate Cyclase inhibition, Molecular Docking., Rhamnocitrin, Syzygium aromaricumView:PDF (381.37 KB) PDF Images In Silico Study of Rhamnocitrin Extract from Clove Syzygium Aromaricum in Inhibiting Adenosine A1 Adenylate Cyclase Interaction ‹ Study on the Inhibition of Sinensetin Extract from Cat's Whiskers Plant (Orthosiphon aristatus) on ATP Binding Cassette Sub-Family G Member 2 in Uric Acid up Hepatitis E Inhibited by Rosmarinic Acid Extract from Clove Plant (Syzygium Aromaricum) through Computational Analysis ›