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Fig. 2 | Journal of Biological Engineering

Fig. 2

From: Phytoconstituents of Withania somnifera (L.) Dunal (Ashwagandha) unveiled potential cerebroside sulfotransferase inhibitors: insight through virtual screening, molecular dynamics, toxicity, and reverse pharmacophore analysis

Fig. 2

The non-covalent interaction of the top three docked complexes, where, A, B and C indicates the surface view, protein-ligand interaction in 3D view and 2D view of CST complex with A Withasomidienone, B 2,4-methylene cholesterol and C 2,3-Didehydrosomnifericin, respectively, obtained through Discovery Studio 2024, and PyMol software version 2.5.7 package. Hydrogen bonding is represented by green, Pi-sigma by violet, Pi-Alkyl by light pink

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Journal of Biological Engineering

ISSN: 1754-1611