Jurnal Farmasi Medica (Pharmacy Medical Journal) PMJ
Vol 3, No 2 (2020)

TEA BIOACTIVE COMPOUNDS AS INHIBITOR OF MRSA PENICILLIN BINDING PROTEIN 2a (PBP2a): A MOLECULAR DOCKING STUDY

Kalalo, Marko Jeremia (Unknown)
Fatimawali, Fatimawali (Unknown)
Kalalo, Tekla (Unknown)
Rambi, Christani I J (Unknown)



Article Info

Publish Date
02 Mar 2021

Abstract

ABSTRACT Methicillin-Resistant Staphylococcus aureus (MRSA) is a hypervirulent multidrug- resistant bacteria. It is spreading around the globe and starting to be a global health problem. It causes bacteremia, infective endocarditis, and bloodstream infection. PBP2a is a protein responsible for MRSA’s resistance to antibiotics, especially beta-lactams. Tea contains bioactive compounds such as polyphenols. It is known to have great antibacterial activities. Therefore, this study aims to find potentials antibacterial compounds from tea polyphenols that can inhibit PBP2a in MRSA with better binding energy than the currently available drugs using the molecular docking approach. We found that theaflavin (-9,7 kcal/mol), as one of the tea polyphenols compound, has a better binding energy with ceftaroline (9,5 kcal/mol) therefore predicted to have better antibacterial activity. (−)- Epigallocatechingallate (-9,1 kcal/mol), (−)-epicatechingallate (-8,8 kcal/mol), myricetin (- 8,7 kcal/mol), quercetin (-8,5 kcal/mol), (−)-epicatechin (-8,3 kcal/mol), (−)- epigallocatechin (-8,3 kcal/mol), kaempferol (-8,3 kcal/mol), procyanidin B2 (-8,1), and theflavindigallate (-7,6 kcal/mol) also have the potential to inhibit MRSA due to its low binding energy. Key words : Molecular docking, MRSA, PBP2a, Tea polyphenols.

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Journal Info

Abbrev

pmj

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Medicine & Pharmacology Public Health

Description

Jurnal Farmasi Medika merupakan jurnal yang diterbitkan oleh PS. Farmasi FMIPA Universitas Sam Ratulangi dengan frekuensi terbit 2 kali dalam setahun di bulan Juni dan Desember. Tujuan pernebitan jurnal ini adalah untuk memberikan sarana bagi para akademisi, peneliti maupun praktisi untuk ...