Potential analysis Persea americana, Allium sativum and Ficus sepatica as anti-cancer uses in silico docking and ADMET prediction

Abstract

Cancer has been a major cause of death in several countries, according to a recent report from the International Agency for Research on Cancer (IARC) which more than 300,000 cases diagnosed and killed reaching 145,000 people. Indoensia has provided lots of resources that has capability as anti-cancer. This study aimed to discover bioactivity of potential compound from several Indonesian’s plants i.e Persea americana, Allium sativum and Ficus sepatica to prevent cancer based on reverse docking studies by using PyMOL v1.7.4.5 Software (Schrödinger), the PyRx 0.8 software and SwissAdme Prediction. The seed of Avocado Persea americana has terpenoid that has a potential in cancer inhibitor with Aldo-Keto Reductase family 1 member B10. The main compound of garlic A. sativum is S-allylcysteine and Lysine-specific demethylase as target protein. Ficus sepatica has Antofin as potential compound and Steroid 17-alpha-hydroxylase as the protein. The binding affinity value are -7.8, -5.1 and 8,9 respectively.