COMPARISON OF COMMERCIALLY AVAILABLE DRUGS FOR TYPE 2 DIABETES WITH NATURAL MOLECULE FROM TINOSPORA
Keywords:
Natural molecule, Tinospora, Type 2 diabetesAbstract
Objective: Efficacy of natural molecule from Tinospora cordifolia versus commercially available drugs to control diabetes 2.
Methods: Twelve different drug molecules were selected to study drug properties, bioactivity and detailed mode of action. A comparative study was carried out among the drugs and plant metabolite to understand the putative mechanism of metabolite action and its potential to be developed as an herbal drug. PharmaGist Server was used to carry out pharmacophore modeling. The sequence of the target molecule (Q09428) was retrieved from UniProtKB/SwissProt, and structure prediction was carried out using ITASSER. The best model generated was further refined by energy minimization using Deep View. Validation of the structure was performed by Ramachandran plot analysis using PDBSum. Interaction analysis of the docked complex was done using LigPlot+.
Results: The potential of natural plant metabolite to target ATP-binding cassette sub-family C member 8 seems probable based on docking and interaction analysis results. The natural molecule showed comparable binding energy (-5.57) in four out of seven drugs.
Conclusion: Natural molecule from Tinospora cordifolia may serve as a potential lead drug molecule after modification and optimization for enhanced interaction.
Keywords: Diabetes mellitus, Natural molecule, Tinospora, Type 2 diabetes
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References
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