Abstract
Cancer is the second leading cause of mortality according to the current WHO report, which states that 30–50% of cancer cases can be prevented by maintaining a healthy lifestyle. One of the ways to maintain a healthy lifestyle is by consumption of healthy food containing antioxidant molecules and enzymes. Curcumin and polyphenolic compounds are now proven as anticarcinogenic molecules. The structures of these molecules are the reason for their anticarcinogenic property. There are many compounds available in nature that may be used as anticancer or antioxidant molecules. Some of these molecules have similar chemical structures and some have different structures. Moreover, in the absence of the known 3D structure of the natural compound, design and optimization of lead molecules are based on physicochemical properties and quantitative structure activity relationships. In this chapter, ligand-based designing of naturally available anticarcinogenic molecules is discussed.
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Abbreviations
- EGCG:
-
Epigallocatechin gallate
- GSH:
-
Reduced glutathione
- GST:
-
Glutathione-S-transferase
- LPO:
-
Lipid peroxidation
- QSAR:
-
Quantitative structure activity relationship
- ROS:
-
Reactive oxygen species
- SOD:
-
Superoxide dismutase
References
Anderson AC (2003) The process of structure-based drug design. Chem Biol 10:787–797
Baldi A (2010) Computational approaches for drug design and discovery: an overview. Syst Rev Pharm 1:99
Barker HE, Paget JT, Khan AA, Harrington KJ (2015) The tumour microenvironment after radiotherapy: mechanisms of resistance and recurrence. Nat Rev Cancer 15:409
Boeing H, Bechthold A, Bub A, Ellinger S, Haller D, Kroke A, Leschik-Bonnet E, Müller MJ, Oberritter H, Schulze M, Stehle P (2012) Critical review: vegetables and fruit in the prevention of chronic diseases. Eur J Nutr 51:637–663
Borek C (2004) Dietary antioxidants and human cancer. Integr Cancer Ther 3:333–341
Cabrera C, Artacho R, Giménez R (2006) Beneficial effects of green tea – a review. J Am Coll Nutr 25:79–99
Cohen MM (2014) Tulsi-Ocimum sanctum: a herb for all reasons. J Ayurveda Integr Med 5:251
Cragg GM (1998) Paclitaxel (Taxol®): a success story with valuable lessons for natural product drug discovery and development. Med Res Rev 18:315–331
Demain AL, Vaishnav P (2011) Natural products for cancer chemotherapy. Microb Biotechnol 4:687–699
Devi PU (2004) Basics of carcinogenesis. Health Adm 17:16–24
Du GJ, Zhang Z, Wen XD, Yu C, Calway T, Yuan CS, Wang CZ (2012) Epigallocatechin Gallate (EGCG) is the most effective cancer chemopreventive polyphenol in green tea. Nutrients 4:1679–1691
Fantini M, Benvenuto M, Masuelli L, Frajese GV, Tresoldi I, Modesti A, Bei R (2015) In vitro and in vivo antitumoral effects of combinations of polyphenols, or polyphenols and anticancer drugs: perspectives on cancer treatment. Int J Mol Sci 16:9236–9282
Ferlay J, Shin HR, Bray F, Forman D, Mathers C, Parkin DM (2008) Estimates of worldwide burden of cancer in 2008: GLOBOCAN 2008. Int J Cancer 127:2893–2917
Gupta S, Hastak K, Afaq F, Ahmad N, Mukhtar H (2004) Essential role of caspases in epigallocatechin-3-gallate-mediated inhibition of nuclear factor kappaB and induction of apoptosis. Oncogene 23:2507
Hall EJ, Giaccia AJ (2006) Radiobiology for the radiologist. Lippincott Williams & Wilkins, Philadelphia
Hosseini A, Ghorbani A (2015) Cancer therapy with phytochemicals: evidence from clinical studies. Avicenna J Phytomedicine 5:84
Huang WY, Cai YZ, Zhang Y (2009) Natural phenolic compounds from medicinal herbs and dietary plants: potential use for cancer prevention. Nutr Cancer 62:1–20
Hutchinson E (2001) Alfred Knudson and his two-hit hypothesis. Lancet Oncol 2:642–645
Leelananda SP, Lindert S (2016) Computational methods in drug discovery. Beilstein J Org Chem 12:2694
Liu Y, Wu YM, Zhang PY (2015) Protective effects of curcumin and quercetin during benzo (a) pyrene induced lung carcinogenesis in mice. Eur Rev Med Pharmacol Sci 19:1736–1743
Lobo V, Patil A, Phatak A, Chandra N (2010) Free radicals, antioxidants and functional foods: impact on human health. Pharmacogn Rev 4:118
Lounnas V, Ritschel T, Kelder J, McGuire R, Bywater RP, Foloppe N (2013) Current progress in structure-based rational drug design marks a new mindset in drug discovery. Comput Struct Biotechnol J 5:e201302011
Martis EA, Somani RR (2012, May 23) Drug designing, discovery and development techniques. In: Basnet P (ed) Promising pharmaceuticals. IntechOpen, London. https://doi.org/10.5772/38948. Available from: https://www.intechopen.com/books/promisingpharmaceuticals/drug-designing-discovery-anddevelopment-techniques
Menon VP, Sudheer AR (2007) Antioxidant and anti-inflammatory properties of curcumin. In: Aggarwal BB, Surh YJ, Shishodia S (eds) The molecular targets and therapeutic uses of Urcumin in health and disease. Springer, Texas, pp 105–125
Middleton E Jr, Kandaswami C, Theoharides TC (2000) The effects of plant flavonoids on mammalian cells: implications for inflammation, heart disease, and cancer. Pharmacol Rev 52:673–751
Oliveira PA, Colaço A, Chaves R, Guedes-Pinto H, De-La-Cruz P, Luis F, Lopes C (2007) Chemical carcinogenesis. An Acad Bras Cienc 79:593–616
Pitot HC (1993) The molecular biology of carcinogenesis. Cancer 72(3 Suppl):962–970
Podolskiy DI, Gladyshev VN (2016) Intrinsic versus extrinsic cancer risk factors and aging. Trends Mol Med 22:833–834
Prada-Gracia D, Huerta-Yépez S, Moreno-Vargas LM (2016) Application of computational methods for anticancer drug discovery, design, and optimization. Bol Médico Hosp Infantil Méx (Engl Ed) 73:411–423
Rahman HS (2016) Natural products for cancer therapy. Dual Diagn Open Acc 1:15
Rajesh E, Sankari LS, Malathi L, Krupaa JR (2015) Naturally occurring products in cancer therapy. J Pharm Bioallied Sci 7(Suppl 1):S181
Surh YJ, Chun KS (2007) Cancer chemopreventive effects of curcumin. In: Aggarwal BB, Surh YJ, Shishodia S (eds) The molecular targets and therapeutic uses of urcumin in health and disease. Springer, London, pp 149–172
Valastyan S, Weinberg RA (2011) Tumor metastasis: molecular insights and evolving paradigms. Cell 147:275–292
Verma J, Khedkar VM, Coutinho EC (2010) 3D-QSAR in drug design-a review. Curr Top Med Chem 10:95–115
Xue L, Bajorath J (2000) Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening. Comb Chem High Throughput Screen 3:363–372
Yu HB, Pan CE, Wu WJ, Zhao SH, Zhang HF (2008) Effects of resveratrol on matrix metalloproteinase-9 expression in hepatoma cells. Zhong Xi Yi Jie He Xue Bao 6:270–273
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Singh, V. et al. (2019). Ligand-Based Designing of Natural Products. In: Sharma, A. (eds) Bioactive Natural Products for the Management of Cancer: from Bench to Bedside. Springer, Singapore. https://doi.org/10.1007/978-981-13-7607-8_8
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DOI: https://doi.org/10.1007/978-981-13-7607-8_8
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