Literature summary for 2.3.3.13 extracted from

Pandey, P.; Lynn, A.M.; Bandyopadhyay, P.
Identification of inhibitors against alpha-isopropylmalate synthase of Mycobacterium tuberculosis using docking-MM/PBSA hybrid approach (2017), Bioinformation, 13, 144-148 .

Search for more literature for 2.3.3.13

Application

Application	Comment	Organism
drug development	the enzyme is required for the proliferation of Mycobacterium tuberculosis and is also indispensable for its survival during the latent phase of infection. It is absent in humans and is widely regarded as one of the validated drug targets against Tuberculosis	Mycobacterium tuberculosis

Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	in silico identification of putative inhibitors against alpha-isopropylmalate synthetase exploring three chemical databases i.e. NCI, DrugBank and ChEMBL is reported through structure based drug design and filtering of ligands based on the pharmacophore feature of the actives. The generation of focused library can help in reducing computational time for virtual screening. Altogether, from DrugBank and ChEMBL, eight potential inhibitors have been found which have relatively better binding affinity than known active compounds, out of which CHEMBL404748 and CHEMBL1159999 are suggested to be the most potent against alpha-isopropylmalate synthetase	Mycobacterium tuberculosis

Organism

Organism	UniProt	Comment	Textmining
Mycobacterium tuberculosis	P9WQB3	-	-
Mycobacterium tuberculosis ATCC 25618	P9WQB3	-	-

Synonyms

Synonyms	Comment	Organism
alpha-isopropylmalate synthetase	-	Mycobacterium tuberculosis
leuA	-	Mycobacterium tuberculosis

General Information

General Information	Comment	Organism
metabolism	the enzyme is involved in the leucine biosynthesis pathway and is extremely critical for the synthesis of branched-chain amino acids leucine, isoleucine and valine	Mycobacterium tuberculosis
physiological function	the enzyme is required for the proliferation of Mycobacterium tuberculosis and is also indispensable for its survival during the latent phase of infection	Mycobacterium tuberculosis

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Release 2023.1 (January 2023)