Molecular Docking Analysis of Anti-Candida albicans Biomarkers in Sulawesi Propolis Against Secreted Aspartic Proteinase-5

Darin Flamandita, Muhamad Sahlan, Kenny Lischer, Diah Kartika Pratami

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Candida albicans is an opportunistic pathogen which can cause conditions ranging from simple infections to death in immunosuppressed patients. The microorganism has virulence factors which allied to decrease host immunity response and make infection significantly by Secreted Aspartic Proteinase-5. However, the existing candidiasis drugs were less effective and emerge resistances due to the increase of drug exposure to the patients. Recently, Sulawesi propolis was known to have antimicrobial activity by the presence of flavonoids. The potentiality was then explored by in silico approach by the help of AutoDock Tools 1.5.6 to prepare the materials, AutoDock Vina to compute binding affinities and Ligplot to visualize the molecular interaction profile. The study revealed that Curcumene found to be the most potent inhibitor of SAP5 with docking score of-6.5 kcal/mol by means of a key residue Threonine 222.

Original languageEnglish
Title of host publicationICETAS 2019 - 2019 6th IEEE International Conference on Engineering, Technologies and Applied Sciences
PublisherInstitute of Electrical and Electronics Engineers Inc.
ISBN (Electronic)9781728140827
DOIs
Publication statusPublished - Dec 2019
Event6th IEEE International Conference on Engineering, Technologies and Applied Sciences, ICETAS 2019 - Kuala Lumpur, Malaysia
Duration: 20 Dec 201921 Dec 2019

Publication series

NameICETAS 2019 - 2019 6th IEEE International Conference on Engineering, Technologies and Applied Sciences

Conference

Conference6th IEEE International Conference on Engineering, Technologies and Applied Sciences, ICETAS 2019
CountryMalaysia
CityKuala Lumpur
Period20/12/1921/12/19

Keywords

  • Anti-Candida albicans
  • AutoDock Vina
  • Molecular Docking
  • SAP5 Inhibitor
  • Sulawesi Propolis

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