Open access
Sep 2026
Structure‐Guided In Silico Design of DprE1 Inhibitors Using Pharmacophore Modeling, Molecular Dynamics Simulations, ADME, and DFT Calculations
Compound 22 was computationally prioritized as a promising noncovalent DprE1‐binding candidate requiring further structural optimization and experimental validation and was computationally prioritized as a promising noncovalent DprE1‐binding candidate.
Priyal Vasani, Angik Patel, Saumya K. Patel et al.
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