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In-Silico Docking of Indian Spice Phytoconstituents against DPP-4 (PDB 1X70) with ADMET and Drug-Likeness Screening
@spice-phytoconstituents-dpp4-docking-admet
B.Pharm
Twenty compounds from seven kitchen spices, a validated redocking protocol, AutoDock Vina scores and SwissADME/pkCSM filters.
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- RCSB Protein Data Bank (DPP-4 with sitagliptin, PDB 1X70)
- PubChem (ligand structures), ChemDraw / MarvinSketch
- AutoDock Tools + AutoDock Vina (docking)
- Open Babel (format conversion, energy minimisation)
- +3
Pharmaceutical Chemistryintermediate14 weeksAll India
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