Abstract and References
Transactions on Science and Technology Vol. 4, No. 4, 498 - 503, 2017

Pharmacophore Modelling of Phytochemicals from Clinacanthus Nutans for Antimicrobial Activity

Tiara Nales Nyawai , Mohd Razip Asaruddin, Mohd Farhan Ariffeen Rosli, Ardy Mursyid Romli, Sam Ezekiel Radhakrishnan, Muhammad Norhelmi Ahmad

Pharmacophore modelling is incorporated as a part of approach in computer-aided drug design (CADD) which assists high-throughput virtual screening and drug design. It offers information on protein-ligand interaction as well as pharmacophore features responsible for interaction with the protein target. Current studies of phytochemicals isolated from Clinacanthus nutans Lindau locally known as belalai gajah are rich of flavonoids and phenolic compounds which able to induce antimicrobial activity. However, essential information of compounds activity against target protein is still inadequate. Hexane, ethyl acetate and methanol fractions of C. nutans showed no inhibition zone against Gram-negative bacterial strain namely Escherichia coli and Gram-positive bacterial strains namely Staphylococcus aureus and Salmonella typhimurium. Pharmacophore model generated from selected broad-spectrum antibiotics (cefixime, ampicillin, amoxicillin and ciprofloxacin) revealed features of hydrogen bond donor and acceptor, hydrophobic and aromatic ring. Six C-glycosyl flavones reported from literature have more similar features and higher fit-value to generated pharmacophore model. We recommend further study to determine minimum inhibitory concentration of C. nutans using various solvent extracts to justify claim of antimicrobial activity of this plant. Synergic effect and concentration of bioactive flavonoids against antimicrobial activity also need to be considered in future studies.

KEYWORDS: Pharmacophore modelling; Clinacanthus nutans; antimicrobial; computer-aided drug design; ligand-based.

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