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Article in-revision

Structure-Based Virtual Screening Identifies Novel Small-Molecule Inhibitors Targeting the Endonuclease Active Site of APE1

Tianzhu Shen, Hongfei Shen, Yun Kong, Weidong Qiang, Xinwei Yu, Jiaping Wang

Apurinic/apyrimidinic endonuclease 1 (APE1) is a key enzyme in the base excision repair (BER) pathway, and its aberrant overexpression is closely associated with poor prognosis, enhanced invasiveness,...

Scientific Reports 2026-04-20 rs-9308995
APE1 virtual screening molecular docking molecular dynamics simulation MM/GBSA anticancer drug discovery
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