José L. Medina‐Franco

SilkRoute provides a reproducible framework for constructing multi-source biomolecular datasets through descriptor-driven workflows.

The paper identifies phosphopyruvate hydratase (PPH) as a drug target in kinetoplastid parasites through proteome mining, structural modeling, and experimental validation, and identifies hinokinin as a promising antiparasitic compound.

This study identifies daclatasvir, an FDA-approved antiviral, as a potential PD-L1 inhibitor through computational methods, showing it binds stably to the PD-L1 homodimer.

The paper analyzes the time evolution of chemical library diversity using molecular fingerprints and finds that increased molecule count does not necessarily equate to increased diversity.

The paper evaluates natural products for anti-leishmanial activity against Leishmania infantum MOGS using CADD, identifying Ocotillone and Subsessiline as promising candidates with pH-dependent inhibition and favorable ADMET profiles.

PeruNPDB is a database of 280 Peruvian natural products designed for in silico drug screening, highlighting the importance of biodiversity in drug discovery.

The paper identifies five DNMT1 inhibitors, including theaflavin, glyburide, and panobinostat, and validates their activity through enzymatic assays and molecular docking.