PathGennie: Open-Source Drug Discovery

Pathgennie: Open-source Drug Discovery

View January 2026 Crrent Affairs

In the News: The Ministry of Science and Technology (via the S.N. Bose National Centre, Kolkata) launched PathGennie, an open-source software designed to accelerate drug discovery.

Technological Innovation

  • Molecular Dynamics: It uses a "direction-guided adaptive sampling" algorithm to simulate rare molecular events, such as how a drug molecule unbinds from a protein target.
  • Survival of the Fittest: Instead of using "artificial force" to speed up simulations (which can distort data), PathGennie launches thousands of short "scouting" missions and only extends those that show progress.

Strategic Utility

  • Fast-tracking Pharma: It reduces the time needed to predict a drug's "residence time" (how long it stays attached to a target), which is a key factor in drug efficacy.
  • Open-Source Paradigm: By being open-source, it allows Indian MSMEs and researchers to bypass expensive proprietary software, supporting the 'Atmanirbhar Bharat' in pharmaceuticals.
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