Molecular docking analysis of curcumin analogues as matrix metalloproteinases (MMP 2 and MMP 9) inhibitors

Radhakrishnan Narayanaswamy, Kok Wai Lam, F. Abas, I. S. Ismail

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The present study describes molecular docking analysis of curcumin analogues as inhibitors of matrix metalloproteinase 2 (MMP 2) and matrix metalloproteinase 9 (MMP 9). Sixteen curcumin analogues were evaluated on the docking behaviour of MMP 2 and MMP 9. And investigation also carried out on their putative binding sites using Discovery Studio Version 3.1. Docking and binding free energy analysis revealed that compound 16 and compound 15 exhibited the maximum binding energy (-57.75 and -60.82 kcal/mol) with that of MMP 2 and MMP 9. Interestingly, compound 1 [2, 5-bis (2, 3-dimethoxy benzylidene) cyclopentanone] has shown to interact with His211 and His230 amino acid residue of MMP 2 and MMP 9 respectively. Thus, the results of this present study exhibited the potential of these curcumin analogues as MMP 2 and MMP 9 inhibitory agents.

Original languageEnglish
Pages (from-to)61-68
Number of pages8
JournalJournal of Applied Cosmetology
Volume35
Issue number1-2
Publication statusPublished - 1 Jan 2017

Fingerprint

Molecular Docking Simulation
Curcumin
Matrix Metalloproteinase Inhibitors
Matrix Metalloproteinase 2
Matrix Metalloproteinase 9
Matrix Metalloproteinases
Binding Sites
Amino Acids

Keywords

  • 2, 6-bis (4-hydroxy-3-methoxy benzylidene) cyclohexanone
  • Curcumin analogues
  • Matrix metalloproteinase 2 (MMP 2)
  • Matrix metalloproteinase 9 (MMP 9)
  • Molecular docking

ASJC Scopus subject areas

  • Dermatology

Cite this

Molecular docking analysis of curcumin analogues as matrix metalloproteinases (MMP 2 and MMP 9) inhibitors. / Narayanaswamy, Radhakrishnan; Lam, Kok Wai; Abas, F.; Ismail, I. S.

In: Journal of Applied Cosmetology, Vol. 35, No. 1-2, 01.01.2017, p. 61-68.

Research output: Contribution to journalArticle

Narayanaswamy, Radhakrishnan ; Lam, Kok Wai ; Abas, F. ; Ismail, I. S. / Molecular docking analysis of curcumin analogues as matrix metalloproteinases (MMP 2 and MMP 9) inhibitors. In: Journal of Applied Cosmetology. 2017 ; Vol. 35, No. 1-2. pp. 61-68.
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