Theoretical Validation of Medicinal Properties of Ginger
Keywords:
Molinspiration, Ocimum Sanctum, Bioactivity Score, Lipinski’s RuleAbstract
Molecular property and bio-activity scores of ten essential oil constituents present in Ocimum sanctum leaves were predicted using molinspiration software. For all the essential oil compounds, miLog P values were found to be <5 for compound 1-7 indicated their good permeability across the cell membrane and compound 8-10 shows miLog P values > 5 this shows these compounds were not easily permeable across the cell membrane. TPSA in the range of 0.00 -66.76 (well below 160Å2) and n violations= 1 or 0, molecular mass <500, n rotb < 5 [10], N0 of hydrogen bond donors ? 5 (the sum of OHs and NHs), No of hydrogen bond acceptor ? 10 (The sum of Os and Ns) were observed for these compounds. This indicate that these compounds were found to obey Lipinski’s rule and can easily bind to receptor and were taken further for the calculation of bioactivity score by calculating the activity score of GPCR ligand, ion channel modulator, nuclear receptor ligand, kinase inhibitor, protease inhibitor and enzyme inhibitor.
References
- Sharma P., Singh V., Ali M. Chemical and Antimicrobial activity of fresh rhizome essential oil of Zingiber Officinale Roscoe Pharmacognosy Journal 8(3), 185-190 (2016). DOI: 10.5530/pj.2016.3.3
- The Wealth of India, Raw materials and cumulative indexes, CSIR, New Delhi: Reprinted 6, 89-99(2006).
- Pieters L., Vlietinck A. J. Bioguided isolation of pharmacologically active plant components, still a valuable strategy for the finding of new lead compounds J Ethnopharmacol, 100(1-2), 57-60 (2005).
- Balunas M. J., Kinghorn A. D. Drug discovery from medicinal plants. Life Sciences, 78(5), 431-41(2005).
- Feng T., Su J., Ding Z-H., Zheng Y-T., Li Y., Leng Y., Liu J-K. Chemical constituents and their bioactivities of "Tongling White Ginger" (Zingiber officinale) J. Agric. Food Chem. 59, 11690-11695 (2011).
- Prasad S., Tyagi A. K. Ginger and its constituents: role in prevention and treatment of Gastrointestinal cancer Gastroenterology Research and Practice Volume 2015 Article ID 142979, 11 pages (2015) http://dx.doi.org/10.1155/2015/142979.
- Demin G., Yingying Z. Comparative antibacterial activities of crude polysaccharides and flavonoids from Zingiber offcinale and their extraction American Journal of Tropical Medicine 5, 235-238 (2010).
- Grzanna R., Lindmark L., Frondoza C. G. Ginger- an herbal medicinal product with broad anti-inflammatory actions Journal of Medicinal Food 8(2), 125-132 (2005).
- Langer E. Greifenberg S., Gruenwald J. Ginger: history and use Advances in Therapy 15(1), 25-44 (1998).
- Shukla Y., Singh M. Cancer preventive properties of ginger: a brief review Food and Chemical Toxicology 45(5), 683-690 (2007).
- Tyler V. E. The Therapeutic use of phytomedicinals, Pharmaceutical Products Press, New York, USA, 1994
- Ali B. H., Blunden G., Tanira M. O., Nemmar A. Some phytochemical, pharmacological and toxicological properties of ginger (Zingiber officinale Roscoe): a review of recent research Food and Chemical Toxicology 46(2), 409-420 (2008)
- Govindarajan N.V.S. Ginger-chemistry, technology, and quality evaluation Part 1 Critical reviews in food science and nutrition 17(1), 1-96 (1982).
- http://www.molinspiration.com
- Lipinski C. A., Lombardo F., Dominy B. W., Feeney P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings? Adv Drug Delivery Rev, 23(1-3), 3-25 (1997).
- Lipinski C. A., Lombardo F., Dominy B. W., Feeney P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings? Adv Drug Delivery Rev, 46(1-3), 3-26 (2001).
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