Computer-aided phytochemical research

Subject Areas : Analytical Assessments of Bioactive Compounds

Satyajit D. Sarker ¹ , Lutfun Nahar ²

1 - Medicinal Chemistry and Natural Products Research Group, School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, James Parsons Building, Byrom Street, Liverpool L3 3AF, UK
2 - Medicinal Chemistry and Natural Products Research Group, School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, James Parsons Building, Byrom Street, Liverpool L3 3AF, UK

Received: 2017-01-26 Accepted : 2017-01-28 Published : 2017-03-01

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References:

Barlow, D.J., Buriani, A., Ehrman, T., Bosisio, E., Eberini, I., Hylands, P.J., 2012. In silico studies in Chinese herbal medicines’ research: evaluation of in silico methodologies and phytochemical data sources, and a review of research to date. J. Ethnopharm. 140(3), 526-534.

Das, S., Laskar, M.A., Sarker, S.D., Choudhury, M.D., Choudhury, P.R., Mitra, A., Jamil, S., Lathiff, S.M.A., Abdullah, S.A., Basar, N., Nahar, L., Talukdar, A.D., 2017. Prediction of anti-Alzheimer’s activity of flavonoids targeting acetylcholinesterase in silico. Phytochem. Anal. In press.

Desai, N.S., Gore, M., 2012. Computer aided drug designing using phytochemicals-bacoside A3 and myricetin and nitric oxide donors-S-nitroso-N-acetylpenicillamine and nitroglycerin as a potential treatment of pancreatic cancer. J. Comput. Sci. Sys. Biol. 5(1), 1-8.

Jeeshna, M.V., Paulsamy, S., 2011. Phytochemistry and bioinformatics approach for the evaluation of medicinal properties of the herb, Exacum bicolor Roxb. Inter. Res. J. Pharm. 2(8), 163-168.

Ningthoujam, S.S., Choudhury, M.D., Potsangbam, K.S., Chetia, P., Nahar, L., Sarker, S.D., Basar, N., Talukdar, A.D., 2014. NoSQL data model for semi-authomatic integration of ethnomedicinal plant data from multiple sources. Phytochem. Anal. 25(6), 495-507.

Nuzillard, J.M., Massiot, G., 1991. Computer-aided spectral assignment in nuclear magnetic resonance spectroscopy. Anal. Chim. Acta. 242(1), 37-41.

Rollinger, J.M., Bodensieck, A., Seger, C., Ellmerer, E.P., Bauer, R., Langer, T., Stuppner, H., 2005. Discovering COX-inhibiting constituents of Morus root bark: activity-guided versus computer-aided methods. Planta Med. 71(5), 399- 405.

Stortz, C.A., Cerezo, A.S., 1992. The 13C NMR spectroscopy of carrageenans: calculation of chemical shifts and computer-aided structural determination. Carbohyd. Poly. 18(4), 237- 242.