Abstract A systematic semiempirical quantum mechanical study of the interactions between proteins and ligands has been performed to determine ability this approach for accurate estimation enthalpic contribution binding free energy protein–ligand systems. This applied eight test complexes with experimentally known enthalpies. The calculations were using PM3 incorporated in MOPAC 97, ZAVA originally elaborated Algodign, 2002 MOZYME facility packages. Special attention was paid take into...

Abstract An approach to quantum mechanical investigation of interactions in protein–ligand complexes has been developed that treats the solvation effect a mixed scheme combining implicit and explicit solvent models. In this approach, first shell around solute is modeled with limited number hydrogen bonded molecules. The influence remaining bulk treated as surrounding continuum conductor‐like screening model (COSMO). enthalpy term binding free energy for was calculated using semiempirical PM3...

The main aspects of the antiviral, anti-inflammatory, antioxidant and hepatoprotective properties dihydroquercetin (DHQ), which may affect course COVID-19, are considered. Given low toxicity a wide range biological activity, aimed not only at suppressing enzymatic reactions with participation coronavirus, but also eliminating lesions caused by it in all target organs, can be recommended for inclusion complex therapy disease during recovery period COVID-19.

It is known that in the first year of life, most intensive growth, maturation digestive tract and intestinal microbiota, development child’s immune nervous systems occur. A lot evidence has been accumulated optimal composition mother’s milk regulates metabolism child contributes to prevention diseases various origins. One key components breast have a positive effect on growth are polyunsaturated fatty acids (PUFAs). Considering prevalence омега‑3 PUFA deficiency population, appropriate use...

Paget’s disease (PD) of the nipple is a rare form breast cancer, characterized by erythema, an scaling skin and eczematous changes nipple-areolar complex. Despite significant increase in newly detected cases PD accounting for 0.5–5.0 % all tumors world. In female patients with ages range from 24 to 90 years (average age 50–60 years), predominantly menopausal 70 cases. But young person were reported. Currently, relevance preserved. There are different methods treatment, but we haven’t...

Medicinal plants and their secondary metabolites are increasingly used in the treatment of diseases complex therapy. Inflammation is a pathological condition that includes wide range such as rheumatic immune-mediated conditions, diabetes, cardiovascular diseases, etc. Three presented review: Harpgophytum procumbens, Curcuma longa, Bosswellia serrata, whose anti-inflammatory effects have been evaluated clinical experimental research. The use Harpgophytum, turmeric boswellia shows these...

Optimal maternal nutrition plays a critical role in ensuring healthy pregnancy and normal fetal development. Maternal fatty acids are essential for the growth development of fetus, newborn future adult. Humans unable to synthesize polyunsaturated (PUFAs) depend on dietary intake PUFAs. Adequate two major omega‑3 PUFAs, eicosapentaenoic acid (EPA) docosahexaenoic (DHA), during and/or lactation is considered fundamental adulthood.

Alcoholic liver disease (ALD) and non-alcoholic fatty (NAFLD) are serious health problems with different epidemiological profiles. The long-term goal of treating chronic hepatosis is to prevent the progression cirrhosis and/or cancer prolong survival patient’s quality life. Herbal supplements containing medicinal plants, such as milk thistle, triphala, ginger plants genus Phyllanthus, have great potential in optimizing therapeutic effect patients.

In the last decade, there has been a rapid increase in incidence of both stress-induced mental disorders and metabolic diseases (obesity, diabetes, etc.). These may be based on common pathogenetic mechanisms, including activation hypothalamic-pituitary-adrenal axis, changes cellular homeostasis energy metabolism. Nutrition can have positive negative effects body’s adaptive reserves Our article is devoted to description role micronutrients rarely used optimize diet, such as tyrosine,...

Aging is a progressive degenerative condition accompanied by an increasing loss of physiological integrity and function. inevitable process that includes, among other things, imbalance between antioxidant defenses reactive oxygen species, changes in protein mitochondrial turnover, telomere attrition, cellular senescence, epigenetic stem cell depletion. These conditions are associated with mild to moderate inflammation, which always accompanies the aging age-related diseases. Skin very...

Optimal nutrition requires complete provision of the human needs not only for energy, macro- and micronutrients, but also minor biologically active substances. Some most promising chemoprotectors are glucosinolates their derivatives, such as 3,3’-diindolylmethane (DIM). DIM has ability to inhibit development progression neoplasia by regulating multiple intracellular signaling pathways. Currently, clinical efficacy is being studied in breast prostate cancer, possibility using DIM’s...

In recent years, the role of vitamin D in women’s reproductive health has been widely studied. Accumulated experimental evidence suggest that may play a modulating metabolic and hormonal indicators fertility. This review reflects numerous clinical studies on potential impact female system. Analysis data indicates need for further randomized trials D.

The diet of the majority adult population does not meet principles a healthy diet. Modifiable factors are associated with lifestyle and diet, which play an important role in development diseases. Sufficient intake energy, protein micronutrients from food serves as prophylactic factor for number chronic non-communicable NCDs. Among all groups population, most sensitive to unbalanced, deficient nutrition women during pregnancy breastfeeding, well elderly. As result, prevalence protein-energy...

A growing body of nutritional evidence shows that we are indeed «what eat» and the fatty acid content our diet has far-reaching physiological implications, many which only just beginning to understand. variety acids present in human diet, bloodstream, cells tissues. Fatty energy sources components membranes. They have biological activities affect cellular tissue metabolism, function response, hormonal other signals. Through these effects, health, well-being, disease risk. While health...

In women during perimenopause, changes in metabolic parameters are detected, such as weight gain, which triggers a cascade of pathological reactions leading to the formation disorders (lipid, carbohydrate metabolism) and endothelial dysfunction, development deficiency sex hormones plays certain role onset menopause. There is connection between hormonal an increase amount abdominal and/or visceral fat, accompanied by weakening oxidative processes adipose tissue, decrease energy consumption...

There is now enough knowledge to suggest that vitamin D status critical overall health and balance. Vitamin deficiency a widespread problem difficulties with its adequate replenishment remain, because many factors influence the absorption bioavailability of influenced by at once. Age, diet, genetics, environmental factors, lifestyle, gut microbiome, pharmaceutical formulation all play important roles in modulating body. Future research should continue explore these their interactions develop...