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Updated: Jan 19, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Targeted Discovery of Pentaketide Ansamycin Aminoansamycins A-G
Feifei Wei1, Zishen Wang1, Chunhua Lu2
1State Key Laboratory of Microbial Technology , Shandong University , Qingdao , Shandong 266237 , P. R. China.
Abstract:
Ansamycins are a class of macrolactams with diverse bioactivities, characterized by the unique 3-amino-5-hydroxybenzoic acid moiety. In this study, the ansamycin gene cluster aas in Streptomyces sp. S35 was activated by the constitutive coexpression of two pathway-specific regulator genes aas1 and aas10, and seven novel pentaketide ansamycin aminoansamycins A-G (1-7) were identified. Compound 4 with better antiproliferative activity indicated that the anthranilate analogues are probably promising building blocks for the production of unnatural ansamycins with improved activity.
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