Kajian Dok Molekul Mengenai Interaksi antara RNA-Bergantung RNA Polimerase Virus Denggi dan Analog Nukleosida

Translated title of the contribution: Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues

Nor Nadirah Abdullah, Kamal Rullah, Kok Wai Lam, Malina Jasamai

Research output: Contribution to journalArticle

Abstract

RNA-dependent RNA polymerase (RdRp) enzyme is an attractive drug target to treat dengue infection. Nucleoside analogues are mimics of natural substrates for polymerase enzymes. They act as inhibitors or substrates for these enzymes resulted in the premature termination of the DNA/RNA strands or formation of faulty DNA/RNA strands. This will halt the virus replication process. Based on the published crystal structure of RdRp domain, docking study to identify molecular interactions between the enzyme and its ligands were performed. Docking of the commercially available nucleoside analogues identified the ligand-binding pocket of the RdRp domain encompasses of Asn492, Asn405, Lys401, Thr605 and Gly601 amino acid residues. Docking of the nucleoside analogues, mimics of the natural substrate for RdRp into this pocket showed the ligand-binding mode, in which hydrogen bonding,-aromatic and charge interactions are the main forces involved. This study also showed the pharmacophore of the nucleoside analogues which will be useful in structure-based drug design against this important target.

Original languageMalay
Pages (from-to)517-522
Number of pages6
JournalSains Malaysiana
Volume47
Issue number3
DOIs
Publication statusPublished - 1 Mar 2018

Fingerprint

RNA Replicase
Dengue Virus
Nucleosides
Enzymes
Ligands
RNA
Dengue
Drug Design
DNA
Hydrogen Bonding
Virus Replication
Amino Acids
Infection
Pharmaceutical Preparations

ASJC Scopus subject areas

  • General

Cite this

Kajian Dok Molekul Mengenai Interaksi antara RNA-Bergantung RNA Polimerase Virus Denggi dan Analog Nukleosida. / Abdullah, Nor Nadirah; Rullah, Kamal; Lam, Kok Wai; Jasamai, Malina.

In: Sains Malaysiana, Vol. 47, No. 3, 01.03.2018, p. 517-522.

Research output: Contribution to journalArticle

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