Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors-Reference-Cited by-同舟云学术

Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors

Published:2023-09-08 Issue:6 Volume:3 Page:507-515
ISSN:2694-2437
Container-title:ACS Bio & Med Chem Au
language:en
Short-container-title:ACS Bio Med Chem Au

Author:

Michino Mayako¹^ORCID,Beautrait Alexandre²,Boyles Nicholas A.²,Nadupalli Aparna³,Dementiev Alexey³,Sun Shan¹,Ginn John¹,Baxt Leigh¹,Suto Robert³,Bryk Ruslana⁴^ORCID,Jerome Steven V.²,Huggins David J.¹⁵^ORCID,Vendome Jeremie²

Affiliation:

1. Sanders Tri-Institutional Therapeutics Discovery Institute, 1230 York Avenue, Box 122, New York, New York 10065, United States

2. Schrödinger, Inc., 1540 Broadway, 24th Floor, New York, New York 10036, United States

3. Schrödinger, Inc., 12 Michigan Dr., Natick, Massachusetts 01760, United States

4. Department of Microbiology and Immunology, Weill Cornell Medicine, New York, New York 10065, United States

5. Department of Physiology and Biophysics, Weill Cornell Medicine, New York, New York 10021, United States

Funder

Weill Cornell Medical College

Publisher

American Chemical Society (ACS)

Subject

Pharmaceutical Science,Drug Discovery,Molecular Biology,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsbiomedchemau.3c00046

Reference39 articles.

1. Properties of Lipoamide Dehydrogenase and Thioredoxin Reductase from Escherichia coli Altered by Site-Directed Mutagenesis

2. Dihydrolipoamide dehydrogenase: Functional similarities and divergent evolution of the pyridine nucleotide-disulfide oxidoreductases

3. Atomic Structure of the Cubic Core of the Pyruvate Dehydrogenase Multienzyme Eomplex

4. Mycobacterium tuberculosis Lipoamide Dehydrogenase Is Encoded by Rv0462 and Not by the lpdA or lpdB Genes

5. Metabolic Enzymes of Mycobacteria Linked to Antioxidant Defense by a Thioredoxin-Like Protein

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