Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitors

Author:

Narendra Gera,Raju Baddipadige,Verma Himanshu,Sapra Bharti,Silakari Om

Funder

ICMR

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference51 articles.

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2. p53 functional states are associated with distinct aldehyde dehydrogenase transcriptomic signatures;Gui;Sci. Rep.,2020

3. Non-P450 aldehyde oxidizing enzymes: the aldehyde dehydrogenase superfamily;Marchitti;Expet Opin. Drug Metabol. Toxicol.,2008

4. The effects of alcohol and aldehyde dehydrogenases on disorders of hematopoiesis;Smith,2015

5. Neurotoxicity and metabolism of the catecholamine-derived 3, 4-dihydroxyphenylacetaldehyde and 3, 4-dihydroxyphenylglycolaldehyde: the role of aldehyde dehydrogenase;Marchitti;Pharmacol. Rev.,2007

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