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
ABSTRACT
 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.
Download Full Text PDF

REFERENCES

Arullapan, S., Rajamanickam, P., Thevar, N. & Kodimani, C. C. (2014). In vitro screening of cytotoxic, antimicrobial and antioxidant activities of Clinacanthus nutans (Acanthaceae) leaf extracts. Tropical Journal of Pharmaceutical Research, 13(9), 1455-1461.

Fai, C. W., Li, A. Y., Hean, C. O. & Tsun, T. C. (2013). Evaluation of the antibacterial activities of selected medicinal plants and determination of their phenolic constituents. Science Asia, 39, 591-595.

Ferreira, L. G., Santos R., Oliva, G. & Andricopulo. (2015). Molecular docking and structure-based drug design strategies. Molecules, 20, 13384-13421.

Ghatage, S. L., Nvale, S. S., Mujawar, N. K., Patil, S. & Patil, V. (2014). Antimicrobial screening. Indian Journal of Drugs, 2(3), 84-88.

National Committee for Clinical Laboratory Standards (NCCLS). (2000). Methods for dilution antimicrobial susceptibility tests for bacteria that grow aerobically; Approved guideline (M7-A5), 20(2).

Ncubes, N. S., Afolayan, A. J. & Okoh, A., I. (2008). Assessment techniques of antimicrobial properties of natural compounds of plant origin: current methods and future trends. African Journal of Biotechnology, 7(12), 1797-1806.

P’ng X. W., Akowuah, G. A. & Chin, J. H. (2012). Acute oral toxicity of clinacanthus nutans in mice. International Journal of Pharmaceutical Sciences and Research, 3(11), 4202-4205.

Pittaya, T, Yupa, P., Photchana, P. & Walter, C. T. (2004). Cerebrosides and a monoacylmonogalactosylglycerol from Clinacanthus nutans. Chemical Pharmaceutical Bulletin, 52(1), 27-32.

Tu, S. F., Liu, R. H., Cheng, Y. B., Hsu, Y. M., Du, Y. C., El-Shazly, M, Wu, Y. C., Chang, F. R. (2014). Chemical constituents and bioactivities of Clinacanthus nutans aerial parts. Molecules, 19(12), 20382-20390.

Siang, Y. S., Ismail, A. & Boon, Y. K. (2013). Perspective and insight on Clinacanthus nutans Lindau in traditional medicine. International Journal of Integrative Biology, 14(1), 7-9.

Taboureau, O., Baell, J. B., Fernández-Recio, J. & Villoutreix, B. O. (2012). Established and emerging trends in computational drug discovery in the structural genomics era. Chemistry and Biology, 19, 29–41.

Teshima, K-I., Kaneko, T., Ohtani, K., Kasai, R., Lhieochaiphant, S., Picheansoonthon, C. & Yamasaki, K. (1998). Sulfur-containing glucosides from Clinacanthus nutans. Phytochemistry, 48(5), 831-835.