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Updated: Jul 29, 2026

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Melianone inhibits Secreted Aspartic Proteases (SAP), a Virulence Factor During Hyphal Formation in Candida albicans

Amalanathan Veni1, T Sivaswamy Lokeswari1, Dhanapal Pavithra1,2

  • 1Department of Biotechnology, Sri Ramachandra Institute of Higher Education and Research (DU), Porur, Chennai 600116, Tamil Nadu, India.

Current Computer-Aided Drug Design
|August 19, 2022
PubMed
Abstract

Insights

Melianone inhibits Candida albicans secreted aspartic proteinase 6 (SAP6), a key virulence factor in systemic fungal infections. This study provides a basis for developing new antifungal treatments targeting SAP proteins.

Area of Science:

  • Mycology
  • Biochemistry
  • Computational Biology

Background:

  • Candida albicans's yeast-to-hyphal transition is crucial for systemic infections.
  • Secreted aspartic proteinases (SAPs) are virulence factors involved in hyphal penetration.
  • SAP6 is significantly upregulated during hyphal transition, yet its inhibition is understudied.

Purpose of the Study:

  • To investigate the inhibitory potential of melianone against SAP6.
  • To analyze the molecular interactions between melianone and SAP6 using in silico methods.

Main Methods:

  • Melianone's hyphal inhibition and SAP inhibitory activity were assayed.
  • The 3D structure of SAP6 was constructed using homology modeling and ab initio methods (Phyre2).
  • Induced Fit Docking (IFD) was performed to analyze melianone-SAP6 interactions.

Main Results:

  • Melianone inhibited hyphal growth at 0.1 μM (IC50) and 50% of SAP activity at 0.125 μM.
  • IFD revealed melianone forms hydrogen bonds and hydrophobic interactions with key catalytic residues of SAP6.
  • A glide energy of -54.9327 kcal/mol was observed for melianone binding to SAP6.

Conclusions:

  • Melianone exhibits significant SAP inhibitory activity, marking the first report of its kind.
  • Melianone's high affinity for SAP proteins suggests potential as a pre-clinical antifungal agent.
  • This research offers valuable insights for developing novel inhibitors targeting SAP proteins in fungal pathogens.
Keywords:
Candida albicansMelianoneSwietenia mahagonidockinghomology modellinghyphal inhibitionsecreted aspartic proteinases SAP

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