*Correspondence: kavikmicro@gmail.com (Received: November 28, 2019; accepted: February 17, 2020) Citaton: Karuppiah Vijay, Karthikeyan Kirupa Sree, Thangarasu Suganya Devi, Soundarya Soundarapandian, Vidhyavathi Ramasamy and Kavitha Thangavel, Computatonal Biology Approaches Revealing Novel target in Vascular Wilt Pathogen Fusarium oxysporum f. sp. lycopersici for the Ligands of Marine Actnobacterial Origin, J. Pure Appl. Microbiol., 2020; 14(1):363-373. htps://doi. org/10.22207/JPAM.14.1.37 © The Author(s) 2020. Open Access. This artcle is distributed under the terms of the Creatve Commons Atributon 4.0 Internatonal License which permits unrestricted use, sharing, distributon, and reproducton in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creatve Commons license, and indicate if changes were made. Vijay et al., J. Pure Appl. Microbiol., 14(1), 363-373 | March 2020 Artcle 5966 | htps://doi.org/10.22207/JPAM.14.1.37 Print ISSN: 0973-7510; E-ISSN: 2581-690X RESEARCH ARTICLE OPEN ACCESS www.microbiologyjournal.org 363 Journal of Pure and Applied Microbiology Computatonal Biology Approaches Revealing Novel Target in Vascular Wilt Pathogen Fusarium oxysporum f. sp. lycopersici for the Ligands of Marine Actnobacterial Origin Karuppiah Vijay 1 , Karthikeyan Kirupa Sree 1 , Thangarasu Suganya Devi 1 , Soundarya Soundarapandian 2 , Vidhyavathi Ramasamy 2  and Kavitha Thangavel 1 * 1 Department of Microbiology, 2 Department of Bioinformatcs, Science Campus, Alagappa University, Karaikudi, Tamilnadu - 630 003, India. Abstract In an in vitro study of antagonistc mangrove actnobacteria for its antfungal compounds to eliminate Fusarium oxysporum f. sp. lycopersici, the extracellular metabolites from the actnobacterium Kutzneria sp. strain TSII was documented. A total of 24 useful ligands were identfed when profled with Gas Chromatography-Mass Spectrometry afer purifcaton through silica gel column chromatography. Molecular modeling of Short-chain Dehydrogenases / Reductases (SDRs) was performed in the prime module of Schrodinger 2018-4 sofware using SDR of Bacillus anthracis as a template (PDB: 3I3OA). In silico studies utlizing the molecular docking of the 24 ligands with SDR responsible for pathogenicity, distributed on the membrane of the Fusarium oxysporum were carried out in Schrodinger 2018-4. Results were indicated as 1,4-Benzenedicarboxylic acid, Bis(2-ethylhexyl) ester, Spiro[Cyclopentane- 1,2’(1’H)-quinoxaline], Decanedioic acid, Didecyl ester with docking scores (Kcal/mol) of – 8.151, -7.231, - 6.031 and low binding free energy (ΔG b ) values (Kcal/mol) of – 68.11, -42.23, -79.41 respectvely, relatng to their potental use as antfungal agents in Fusarium wilt infectons. As SDRs are involved in melanin biosynthesis, binding of these ligands may interfere with melanin biosynthetc pathways conferring pathogenicity to Fusarium oxysporum f. sp. lycopersici. Hence, the present research study uncovers in vitro antagonistc potental of marine actnobacterial metabolites towards the most devastatng vascular wilt pathogen Fusarium oxysporum in tomatoes and identfes the probable involvement of SDR as the potental target in an in silico molecular docking approach. Keywords: Short-chain Dehydrogenase/Reductases, Antfungals, Marine actnobacteria, Melanin biosynthesis, Fusarium oxysporum