Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies

<div>Interaction of the ligands with the heme group. (a) represents the interaction of Hit1 with the heme by <i>π</i>-<i>π</i> stacked and <i>π</i>-alkyl interactions with pyrrole ring III. (b) demonstrates the interaction of Hit2 with pyrrole ring IV by <i>π</i>-alkyl and alkyl interactions.</div>

BioMed Research International

fig20

Figure 20

Figure 20: Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies 