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Computational and Structure-Guided E-Pharmacophore-Based Virtual Screening for the Identification of Novel NEK2 Kinase Inhibitors as Potential Anticancer Agents

H. Rehman Ayesha Latif Hafiz Muhammad Hammad M. Sajjad
Aug 2026 · bioRxiv · 0 citations · 2 references
Biology

TL;DR

The overall results of the MD showed the overall stability of the NEK2–ligand complexes, and thus these three compounds are promising NEK2 inhibitor candidates and could be further validated in vitro and in vivo for clinical application.

DOI Semantic Scholar
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