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Author

B. Krishnan

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Open access Jul 2026

Identification of Novel Lead Molecules against Hexokinase-2 using Structure-based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations

This study considered HK2 as a promising target for anticancer strategies by screening a large in-house library of 1.28 million compounds and obtained several lead molecules that exhibited favourable XPG and MM/GBSA scores, steady binding trajectories and sustained interactions.

Mythreyi Jannu, B. Krishnan, U. Amineni et al. · 0 citations

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