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Fig. 8 | Journal of Biological Engineering

Fig. 8

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. 8

Post MD interaction Analysis of selected compounds in the active site of CST with surface view, protein-ligand interaction and 2D representation of interaction of (A) CST- Withasomidienone complex, (B) CST-2,4-methylene-cholesterol complex, and (C) CST-2,3-Didehydrosomnifericin complex after 100 ns of simulation. Conventional hydrogen bonds, carbon hydrogen bond, Pi-sigma bonds, Pi-alkyl bonds, and Vander Waal interactions are represented in dark green, light green, violet, light pink, and green colors, respectively

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Journal of Biological Engineering

ISSN: 1754-1611