DOI : https://dx.doi.org/10.26808/rs.ph.i10v2.02 International journal of pharmaceutical science and health care Issue 10, Vol.2 (Mar.-Apr. 2020) Available online on http://www.rspublication.com/ijphc/index.html ISSN 2249 – 5738 ©2020 RS Publication, rspublicationhouse@gmail.com Page 8 In Silico Molecular Docking & ADMET study of phycocomponents isolated from Padina tetrastromatica and Caulerpa peltata Nikunj B. Patel 1 , NayanD. Prajapati 3 , Lensi Patel 4 , Khushi Patel 5 and Haresh S. Kalasariya 2 * 1,2*,3,4,5 Smt. S. S. Patel Nootan Science & Commerce College, SankalchandPatelUniversity,Visnagar-384 315 1 niks17micro@gmail.com, 2* hareshahir22@gmail.com, 3 nayanprajapati200528@gmail.com 4 lencypatel499@gmail.com, 5 kp2954315@gmail.com ABSTRACT Brown algae, P. tetrastromaticaand Green algae C. peltata belong to the family Dictyotaceae&Caulerpaceae. This present study was carried out by taking GC-MS data performed by M. Uma Maheswari et al.(2017) & K. Murugan and V. V. Iyer (2014). Phycocomponents were identified by them and its mechanism of action was identified through docking analysis. Most of the drugs currently used for the anti-bacterial treatments (for skin) produce side effects, and hence we focused on algae based compounds which exhibit the minimum toxic effects. Molecular docking, Binding energy, Absorption, Distribution, Metabolism, Excretion and Toxicity etc. were performed for phytocomponents to analyze as a drug molecule. Docking experiments were carried out between biocompounds from algae with 11 target proteins of well known skin pathogen S. pyogenes using PyRx. Compounds showed better activity in all parameters as tabulated. All the components can be further explored for structural modification and detailed investigation to arrive at possible newer potent agent with better therapeutic effects. Key words:Algae, C. peltata, P. tetrastromatica, VEGA (Q)SAR, Molecular docking, ADMET Corresponding Author:KalasariyaH.S. INTRODUCTION Recently, in silico procedure become a prominent tool for drug design and discovery. It is helpful to identify and discover new potential drugs from sets of compounds.[1, 2, 3] With the help of bioinformatics tools and techniques, the 3D structure of proteins, molecular modeling of gene, gene expression and gene sequence analysis can be studied. [4, 5, 6] This types of tools and techniques helpful to obtain, integrate and analyze data from diverse data sources. Other useful strategies include in silico drug design methods, drug repurposing by computational workflows, and network-based in silico screening for drug efficacy. [7, 8, 9] The study of bioinformatics can assist a biologist to extract valuable information from biological data providing by various web- and/or computer-based tools, the majority of which are freely available.[10, 11] DDBJ, Uniprot, SWISS PROT, TAIR, Ensembl, Proteomics Identification Database, PubChem, HMDB etc. are the available databases for retrieving useful data.[12, 13, 14, 15] In silico study important in study related to the areas of biological research which can be greatly assisted by analyzing tools such as DNA and protein