Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management

Scientific Reports, Journal Year: 2023, Volume and Issue: 13(1)

Published: Aug. 17, 2023

Abstract Molecular docking is a computational technique that predicts the binding affinity of ligands to receptor proteins. Although it has potential uses in nutraceutical research, developed into formidable tool for drug development. Bioactive substances called nutraceuticals are present food sources and can be used management diseases. Finding their molecular targets help creation disease-specific new therapies. The purpose this review was explore docking's application study dietary supplements disease management. First, an overview fundamentals various software tools available presented. limitations difficulties using research also covered, including reliability scoring functions requirement experimental validation. Additionally, there focus on identification numerous models, those sickle cell disease, cancer, cardiovascular, gut, reproductive, neurodegenerative disorders. We further highlighted biochemistry pathways models from recent studies have revealed mechanisms pinpoint nutraceuticals' effects pathogenesis. It convincingly true useful identifying may offer information about how work support therapeutics. Therefore, bright future lot potentials lead brand-new medicines treatment disease.

Language: Английский

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Tomatoes: An Extensive Review of the Associated Health Impacts of Tomatoes and Factors That Can Affect Their Cultivation

Biology, Journal Year: 2022, Volume and Issue: 11(2), P. 239 - 239

Published: Feb. 4, 2022

This review outlines the health benefits associated with regular consumption of tomatoes and tomato products. The first section provides a detailed account horticultural techniques that can impact quality fruit its nutritional properties, including water availability, light intensity, temperature, growing media. next information on components are likely to contribute effects. then details some consumption, anticancer cardiovascular neurodegenerative diseases skin health. also discusses have gut microbiome benefits, reducing risk inflammatory bowel diseases. Other eating discussed in relation effects diabetes, immune response, exercise recovery, fertility. Finally, this addresses negative occur as result overconsumption products lycopene supplements.

Language: Английский

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Female infertility and herbal medicine: An overview of the new findings

Food Science & Nutrition, Journal Year: 2021, Volume and Issue: 9(10), P. 5869 - 5882

Published: Aug. 15, 2021

Abstract Infertility is defined as the failure to achieve a successful pregnancy after 12 months’ sexual activity that affects 15%–17% of couples in world and about 50% them are related female infertility factors. In this study, using PRISMA checklist MeSH keywords, 128 articles were extracted from various databases (PubMed, Cochrane library, WHO, Iranmedex, Science Direct, SID, Google Scholar search engine) without language time restrictions, selected eliminating duplicate studies. review, we present some solid evidence for role herbal medicine treatment infertility. The results study showed different parts plants rich polyphenolic compounds (isoflavones flavonoids) other which beneficial reproductive health women. these plants, along with regulating endocrine pathways, improving symptoms menopause, treat disorders such polycystic ovary syndrome (PCOS), premature ovarian (POF), endometriosis, hyperprolactinemia, hypothalamic dysfunction; moreover, because their anticancer, antioxidant, antidepressant properties, they can be used traditional or pharmaceutical industry safe women's health.

Language: Английский

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PCOS in Adolescents—Ongoing Riddles in Diagnosis and Treatment

Journal of Clinical Medicine, Journal Year: 2023, Volume and Issue: 12(3), P. 1221 - 1221

Published: Feb. 3, 2023

Polycystic ovary syndrome (PCOS) is one of the most common endocrine disorders in women reproductive age. A diagnosis PCOS established when a patient exhibits two three Rotterdam criteria: oligoovulation or anovulation, excess androgen activity, and polycystic ovarian morphology. The pathogenesis PCOS, as it affects adolescents, often discussed terms “two-hit” theory. This refers to stepwise process which first “hit” an inborn congenitally programmed predisposition, while second arises from provocative factor such insulin resistance. dynamic physiological anatomical changes occur puberty make for challenging this group patients. It important be mindful particularities adolescence mimic symptoms PCOS. In their first-year post-menarche, approximately 75% menstruating adolescents report cycle last between 21–45 days. Recent studies have shown that regular menstrual cyclicity only achieved within 2–3 years post-menarche. Anovulation, crucial diagnostic element features about half early-post-menarchal adolescents. Hirsutism acne are clinical manifestations hyperandrogenism, mild developed by result elevated levels. Distinguishing pathological sign normal maturation difficult. morphology (PCOM) through ultrasound has been found up 40%, 35%, 33.3% patients assessed at 2, 3, 4 years, respectively, after menarche. PCOM not associated with future abnormalities ovulatory rate duration. For reason, international guidelines recommend against use pelvic until 8 primary aim management focused mainly on improving hormonal metabolic status, prevention comorbid complications, generally overall quality life young Considerable controversy surrounds choice optimal pharmacological treatment address Reliable studies, include sub-section population, very limited. There lack robust reliable trials literature addressing combined oral contraceptives. Further work needs undertaken order provide safe effective care adolescent population regard.

Language: Английский

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Endometriosis Treatment: Role of Natural Polyphenols as Anti-Inflammatory Agents

Nutrients, Journal Year: 2023, Volume and Issue: 15(13), P. 2967 - 2967

Published: June 30, 2023

Endometriosis is an estrogen-dependent common chronic inflammatory disease defined by the presence of extrauterine endometrial tissue that promotes pelvic pain and fertility impairment. Its etiology complex multifactorial, several not completely understood theories have been proposed to describe its pathogenesis. Indeed, this affects women’s quality life their reproductive system. Conventional therapies for endometriosis treatment primarily focus on surgical resection, lowering systemic levels estrogen, with non-steroidal anti-inflammatory drugs counteract response. However, although these strategies shown be effective, they also show considerable side effects. Therefore, there a growing interest in use herbal medicine endometriosis; however, date, only very limited literature present topic. Polyphenols display important anti-endometriotic properties; particular, are potent phytoestrogens parallel modulates estrogen activity exerts activity. The aim review provide overview polyphenols endometriosis.

Language: Английский

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Effects of natural products on polycystic ovary syndrome: From traditional medicine to modern drug discovery

Heliyon, Journal Year: 2023, Volume and Issue: 9(10), P. e20889 - e20889

Published: Oct. 1, 2023

Polycystic Ovary Syndrome (PCOS) is a common endocrine disorder with worldwide prevalence of 6–10 % women reproductive age. PCOS risk factor for cardiometabolic disorders such as type 2 diabetes, myocardial infarction, and stroke in addition to exhibiting signs hyperandrogenism anovulation. However, there no known cure PCOS, medications have only ever been used symptomatically, variety adverse effects. Drugs made from natural plant products may help treat because several extracts widely recognized lessen the symptoms PCOS. In light this, 72 current studies on potential control were examined. By controlling PI3K/AKT signaling pathway decreasing NF-κB cytokines tumor necrosis (TNF), interleukin-1 (IL-1), interleukin-6 (IL-6), certain plant-derived chemicals might reduce inflammation. Other substances altered HPO axis, which normalized hormones. Additionally, other components increased glutathione (GSH), superoxide dismutase (SOD), catalase (CAT), peroxidase (GPx) levels radiation-induced oxidative stress. The prevented autophagy by impairing beclin 1, autophagy-related 5 (ATG5), microtubule-associated protein 1A/1B-light chain 3 - II (LC3- II). main focus this comprehensive review possibility bio-resources treatment regulating inflammation, hormones, reactive oxygen species (ROS), or autophagy.

Language: Английский

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Mechanisms of Bushen Tiaoxue Granules against controlled ovarian hyperstimulation-induced abnormal morphology of endometrium based on network pharmacology

Journal of Ovarian Research, Journal Year: 2024, Volume and Issue: 17(1)

Published: Jan. 26, 2024

Abstract Bushen Tiaoxue Granules (BTG) is an empirical Chinese herbal formula that has been used for the treatment of subfertility. The protective effect BTG on controlled ovarian hyperstimulation (COH)-induced impaired endometrial receptivity reported in our previous study. This study aims to explore mechanisms ameliorating abnormal morphology endometrium based network pharmacology. Active compounds were identified via traditional medicine systems pharmacology and UPLC-MS technology. SwissTargetPrediction platform HERB database screen out putative targets BTG. Potential dysfunction caused by COH obtained from three GEO databases. Through STRING database, protein–protein interaction was carried according cross-common diseases drugs. GO terms KEGG pathways enrichment analyses conducted Metascape database. AutoDock Vina docking validation affinity between active potential targets. Finally, vivo experiments verify derived A total 141 effective ingredients TCMSP nine which verified UPLC-MS. Six genes selected through intersection 534 disease related 165 drug Enrichment showed might reverse regulating adherens junction arachidonic acid metabolism. Hematoxylin–eosin staining revealed ameliorated loose edematous status epithelium COH. protein expression FOXO1A, β-Catenin COX-2 decreased group, up-regulated significantly alleviates edema may be adheren junctions activation quercetin, taxifolin, kaempferol, eriodictyol, isorhamnetin exhibit marginal cytotoxicity. Both high low concentrations taxifolin are capable effectively hESC cellular activity.

Language: Английский

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Metabolic and Molecular Mechanisms of Diet and Physical Exercise in the Management of Polycystic Ovarian Syndrome

Biomedicines, Journal Year: 2022, Volume and Issue: 10(6), P. 1305 - 1305

Published: June 2, 2022

Polycystic ovary syndrome (PCOS) is an endocrine systemic disorder mainly characterized by a hormonal and metabolic disbalance that leads to oligo/anovulation, hyperandrogenism the formation of ovarian cysts. Despite progress has been reached in its diagnosis management, little known about molecular mechanisms signaling pathways underlying pathogenic mechanisms. In this sense, recent research suggested influence multiple factors, including age, environment, lifestyle disease state environment can change clinical presentation PCOS via epigenetic modifications. Variants genes encoding for proteins involved steroidogenesis glucose homeostasis play crucial role development disease. Other inflammation cell proliferation seem undergo control. Moreover, factors course prognosis, diet physical activity, which are fundamental reducing oxidative stress, improving parameters. present review, literature evidence on related etiology will be discussed, with particular attention positive activity as nonpharmacological ways intervention management

Language: Английский

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Phytochemicals: Alternative for Infertility Treatment and Associated Conditions

Oxidative Medicine and Cellular Longevity, Journal Year: 2023, Volume and Issue: 2023, P. 1 - 21

Published: May 11, 2023

Infertility and obstetric complications have become global health issues in the past few years. is defined as inability of a couple to conceive even after twelve months or more regular unprotected intercourse. According WHO data published year 2020, 186 million people infertility globally. Factors leading are variable both males females. But some common factors include smoking, alcohol consumption, obesity, stress. Various synthetic drugs treatment options available that effective treating infertility, but their prolonged usage produces various unwanted adverse effects like hot flashes, mood swings, headaches, weight gain. In extreme cases, these may also lead development anxiety depression. Herbal remedies gained lot popularity over years, people’s inclination toward them has increased all world. The prime reason show significant therapeutic efficacy fewer side effects. plants can be attributed presence diverse phytochemical classes constituents alkaloids, flavonoids, volatile oils. These secondary metabolites, phytomolecules, used develop herbal formulations. review highlights applications mechanisms action phytochemicals for infertility. Also, it focuses on future prospects associated with it.

Language: Английский

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Quercetin and Ferulic Acid Elicit Estrogenic Activities In Vivo and In Silico

Molecules, Journal Year: 2023, Volume and Issue: 28(13), P. 5112 - 5112

Published: June 29, 2023

In this study, we examined the sub-acute toxicity of quercetin and ferulic acid evaluated their effects on protein, cholesterol, estrogen levels in vivo. Six groups female Wistar rats were fed by gavage. The first second represent positive (Clomiphene citrate 10 mg/kg) negative (NaCl 0.9%) control groups, while other received at doses 5 mg/kg/day for 28 days. was monitored examining weights, biochemical parameters (AST, ALT, ALP, urea, CREA), histological changes kidneys liver treated animals. Furthermore, vivo estrogenic studied terms serum ovarian cholesterol levels, estradiol, uterine proteins. Finally, Docking studies conducted to evaluate binding affinity alpha beta receptors. Results showed that both compounds devoid any signs nephrotoxicity or hepatotoxicity. Additionally, caused significant evidenced an increase 8.7 22.48% though a lesser amount than reference drug-treated group (64.21%). Moreover, two decreased (12.26–32.75%) as well level (11.9% 41.50%) compared control. molecular docking active sites high (−10.444 kcal/mol −10.662 beta) (−6.377 −6.3 these This study provides promising insights into potential use therapeutic agent management fertility issues.

Language: Английский

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