The pharmacophore model, ROCS-based query, and docking model for identifying novel LpxH-targeted chemotypes against Klebsiella pneumoniae

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Gao Zhang, Jie Xia
DOI: 10.5281/zenodo.18425441
Cited by: 0

Abstract

These models were optimized and employed for identifying a new chemotype of LpxH inhibitors.

Fields of Study & Subjects

Computational Drug Discovery Methods Synthesis and Characterization of Heterocyclic Compounds Synthesis and Biological Evaluation

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
30 January 2026
Document type
Dataset