AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-β-lactamases and indoleamine/tryptophan 2,3-dioxygenases

AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-β-lactamases and indoleamine/tryptophan 2,3-dioxygenases

We herein describe AncPhore, a versatile tool for drug discovery, which is characterized by pharmacophore feature analysis and anchor pharmacophore (i.e., most important pharmacophore features) steered molecular fitting and virtual screening. Comparative analyses of numerous protein–ligand complexes...

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Bibliographic Details
Main Authors: Qingqing Dai, Yuhang Yan, Xiangli Ning, Gen Li, Junlin Yu, Ji Deng, Lingling Yang, Guo-Bo Li
Format: Article
Language:English
Published: Elsevier 2021-07-01
Series:Acta Pharmaceutica Sinica B
Subjects:
Anchor pharmacophore
Metalloenzyme
Virtual screening
Metallo-β-lactamase
Indoleamine 2,3-dioxygenase
Tryptophan 2,3-dioxygenase
Online Access:http://www.sciencedirect.com/science/article/pii/S2211383521000216

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http://www.sciencedirect.com/science/article/pii/S2211383521000216

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