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Literature summary for 2.3.1.97 extracted from

  • Junqueira, L.; Da Costa, M.; Rando, D.
    N-myristoyltransferases as antileishmanial targets A piggyback approach with benzoheterocyclic analogues (2019), Braz. J. Pharm. Sci., 55, e18087 .
No PubMed abstract available
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Crystallization (Commentary)

Crystallization (Comment) Organism
comparative binding site analysis and molecular docking studies of Leishmania major and Candida albicans NMT and molecular docking studies with benzoheterocyclic analogues Candida albicans
comparative binding site analysis and molecular docking studies of Leishmania major and Candida albicans NMT and molecular docking studies with benzoheterocyclic analogues Leishmania major

Inhibitors

Inhibitors Comment Organism Structure
3-([3-methyl-2-[(2,3,4-trifluorophenoxy)methyl]-1-benzofuran-4-yl]oxy)-N-[(pyridin-3-yl)methyl]propan-1-amine compound displays hydrogen bonds between the benzofuran oxygen and the His227 residues as well as between the nitrogen from 2-piridinyl ring at C4 side chain and the Tyr119. The 2-pyridinyl ring interacts with Phe117 as well as the trifluorobenzene, at C2 side chain, interacts both with Phe115 and Phe240 Candida albicans
3-([3-methyl-2-[(2,3,4-trifluorophenoxy)methyl]-1-benzofuran-4-yl]oxy)-N-[(pyridin-3-yl)methyl]propan-1-amine compound displays between the nitrogen from the C6 side chain of BF and both Leu421 carboxylic oxygens as well as with the Tyr92 aromatic hydroxy group. Pi-stacking interactions are observed between the aromatic ring from C2 side chain and Phe232 and between the benzofuran ring and Phe90 Leishmania major
N-[(pyridin-3-yl)methyl]-3-([2-[(2,3,4-trifluorophenoxy)methyl]-1,3-benzothiazol-7-yl]oxy)propan-1-amine compound forms hydrogen bonds between the nitrogen from C4 side chain and the Leu421 as well as between the benzothiazole nitrogen and His227 Candida albicans
N-[(pyridin-3-yl)methyl]-3-([2-[(2,3,4-trifluorophenoxy)methyl]-1,3-benzothiazol-7-yl]oxy)propan-1-amine the nitrogen from the C6 side chain forms hydrogen bonds with both carboxylate oxygens of Leu421. His219 interacts through hydrogen bonds with the oxygen from the C2 side chain as well as the nitrogen from benzothiazole ring with His219 Leishmania major

Organism

Organism UniProt Comment Textmining
Candida albicans P30418
-
-
Leishmania major Q4Q5S8
-
-

Synonyms

Synonyms Comment Organism
NMT
-
 Leishmania major
NMT1
-
 Candida albicans