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Table 9 The interaction of highly active compounds with binding pocket of N-acetylmuramoyl-l-alanine:D-glutamate ligase (PDB ID:1UAG)

From: Antimicrobial, antioxidant and cytotoxic evaluation of diazenyl chalcones along with insights to mechanism of interaction by molecular docking studies

Compound

Interacting residues of the binding pocket

C-6

Leu15, Thr16, Asp94, Ala43, Pro142, Leu141, Gly140, Asn138, Gly137, Ser159, Gln162, Arg37, Thr36, Asp35, Ser71, Pro72, Ile74

C-15

Ser71, Pro72, Ile74, Arg37, Thr36, Asp35, Ile11, Gly12, Leu15, Thr16, Gly17, Glu423, Phe422, Asn421

C-21

Pro41, Gly42, Leu15, Thr16, Leu141, Asn138, Asp94, Gln162, Pro72, Lys420, Asn421

Methicillin

Ala414, Ser415, Leu416, Phe419, Lys420, Asn421, Phe422, Glu423, Pro72, Ser71, Thr16, Leu15, Gly14, Arg37, Pro41

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BMC Chemistry

ISSN: 2661-801X

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