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A Computational Modeling of the Structure, Frontier Molecular Orbital (FMO) Analysis, and Global and Local Reactive Descriptors of a Phytochemical ‘Coumestrol’
Published in Nazmul Islam, Satya Bir Singh, Prabhat Ranjan, A. K. Haghi, Mathematics Applied to Engineering in Action, 2021
P. Vinduja, Vijisha K. Rajan, Swathi Krishna, K. Muraleedharan
It was Bickoff et al. who reported several researches on Coumestrol and accentuated its pharmacological effects [11]. Oxygen being the ultimate electron acceptor for producing energy in the form of ATP in electron flow systems, oxidation responses is an indispensable component of aerobic life. But when uncoupled, the electron stream system produces free radicals, mostly oxygenated species called Reactive Oxygen Species, and these extremely reactive species, including radicals of superoxide, peroxy radicals, alkoxy radicals, etc., cause damage to life operations. Oxidation is liable for pathogenesis of multiple age-related degenerative diseases such as cancer, diabetes, muscular degeneration, Alzheimer’s and Parkinson’s disease, since reactive pro-oxidant species can harm proteins, lipids, carbohydrates, and nucleic acids over time [12]. Furthermore, several studies have suggested that oxidation induces and activates multiple cell signaling pathways that add to the creation of lesions of toxic substances and ultimately potentiate Alzheimer’s disease. Alzheimer’s disease is the most common Neurodegenerative disease with progressive memory, cognition, and behavioral impairments [13]. Antioxidants are compounds that safeguard the cell against the harm induced by free radical chemical reactions. The inclusion of fruits and vegetables containing antioxidants in the diet is very crucial in this situation. They either stabilize or deactivate the free radicals before them attacking cells. Antioxidants are the first line of protection against reactive oxygen species and are critical to keeping optimum activity in the cell and life. Here, Coumestrol which is a potent anti-oxidant shows anti-Alzheimer’s property. Cerebral ischemia is a condition in which there is insufficient blood flow to the brain to meet metabolic requirements but even in this case Coumestrol because of its low molecular weight and stable structure, enables it to transit through the cell membrane, and shows its neuroprotective nature [14]. Intake of foodstuffs containing Coumestrol has an irrefutable effect in cancer treatment, menopause difficulties, problems related to osteoporosis, atherosclerosis, and cardiovascular disease [15]. Reports have been shown that Coumestrol has a positive influence in anti-aging [16]. Adipogenesis is a process of conversion of pre-adipocytes into adipocytes which eventually causes the excessive fat deposition. In this scenario, Coumestrol acts as a powerful tool for anti-adipogenesis. Melanin is the pigment that gives color to skin and hair and it absorbs UV light and protects the skin against the harmful impact of UV light and free radicals generated by UV. Despite the beneficial role of melanin in the skin, excessive melanin production and accumulation outcomes in several skin disorders including acquired syndromes of hyperpigmentation such as melasma, age spots, and freckles. In this case, coumestrol acts as a depigmenting agent. Our studies described here were designed to assess the antioxidant activity of Coumestrol.
New approaches towards the discovery and evaluation of bioactive peptides from natural resources
Published in Critical Reviews in Environmental Science and Technology, 2020
Nam Joo Kang, Hyeon-Su Jin, Sung-Eun Lee, Hyun Jung Kim, Hong Koh, Dong-Woo Lee
Accumulation of excess body fat causes obesity, exerting a negative effect on health. The amount of adipose tissue tightly regulated by adipogenesis in pre-adipocyte cells, the best-characterized model for studying adipogenesis (Aoyama, Fukui, Takamatsu, Hashimoto, & Yamamoto, 2000). Glycerol-3-phosphate dehydrogenase (GPDH), a key enzyme in glycolysis, is linked to phospholipid and triglyceride biosynthesis (Harding, Pyeritz, Copeland, & White, 1975; Tsou, Lin, Lu, Tsui, & Chiang, 2010). Because suppression of GPDH activity inhibits differentiation and reduces lipid accumulation in pre-adipocyte cells, the anti-adipogenic effects of BPs can be evaluated by measuring the activity of this enzyme (Hirai, Yamanaka, Kawachi, Matsui, & Yano, 2005). In addition, saturated fatty acids from acetyl-CoA and malonyl-CoA are synthesized endogenously by fatty-acid synthase (FAS), which is involved in adipogenesis (Leibundgut, Maier, Jenni, & Ban, 2008). Some hydrolyzed proteins can inhibit FAS activity, thereby controlling cell differentiation and lipid accumulation (Gonzalez-Espinosa de los Monteros, Ramon-Gallegos, Torres-Torres, & Mora-Escobedo, 2011; Martinez-Villaluenga, Dia, Berhow, Bringe, & Gonzalez de Mejia, 2009).