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VIRTUAL SELECTION OF AN EFFECTIVE COMPOUND USING PREDICTED VIRUS PROTEIN
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| Author:
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REVATHI , DR.U.SARASWATHI
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| Abstract:
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Polyherbal formulation- Chathurmuka Chooranam is one of the effective drugs having enormous therapeutic ability. The present study was aimed to dock the plant derived ligands from the formulation with the predicted protein compounds. The predicted structure of Heme oxygenase, Cytochrome P450, Alpha anti trypsin, Hepatitis B virus (HBx) and Superoxide dismutase using LeadIT was docked against 10 natural compounds in SDF format. The results of interactions between amino acids at the binding sites and ligand molecules revealed the most important functional group of Curculigoside from Curculigo orchioides possessed considerable docking score in terms of binding potential energy ligand molecules, amino acids favoring the H bond and hydrophobic interactions.
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| Keyword:
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CMC formulation, Cancer proteins, Molecular docking
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| EOI:
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| DOI:
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| Download:
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