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Insilico plant metabolites’ screening for pharmaco /agrochemical potency. VMSRF. P.T.O. for concept slide. Selected Target-proteins. Pre-determined Bioactive compounds. Modeling. PDB structures. QSAR Training set. Target-protein Structural DB. Metabolites’ DB. Metabolites’ DB.
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Insilico plant metabolites’ screening for pharmaco/agrochemical potency VMSRF P.T.O. for concept slide
Selected Target-proteins Pre-determined Bioactive compounds Modeling PDB structures QSAR Training set Target-protein Structural DB Metabolites’ DB Metabolites’ DB Insilico churning machine Curation Data mining • Docking • QSAR • ADME/ • Toxicity Plants with pesticidal activity Medicinal plants Most potent agrochemical metabolites Most potent pharmaco metabolites
Strengths Out-comes Most potent plant metabolites as, Insecticides Nematicides Fungicides Bactericides Viricides Anti-cancer compounds Putative mode of action for potent metabolites Mammalian & Aquatic toxicity screening for eco-friendlynessof metabolites Leads to chemical isolation & extraction of metabolites Leads to in-vitro analysis • Pioneers in insilico screening of plant metabolites for its potency • Plant Metabolites’ structural information is already available in form of articles, books etc. • Experience in building Structural Databases • Expertise of handling multiple insilico filters • List of potent plants already available