Posted by admin on Oct 31, 2022 in |
Presently, in-silico approaches have been introduced as alternative methods for the process of drug invention. The current investigation aimed to explore expectations and the examination of the chemotherapeutic potential dietary phytochemicals as effective anti-cancer agents against HER2. This receptor plays a pivotal role in the development of breast cancer. Here, protein-ligand virtual screening was established as a coherent strategy for the identification of new inhibitors. The primary screening was performed with a molecular approach using iGEM DOCKv2.1 software. Bioinformatics & system analytical techniques were used for the extrapolation of adverse assessments. Lastly, the best compounds with a good outfit score, non-toxic and better drug-likeness esteems were scrutinized for interactions with the key residues and were escalated to final screening. The final re-docking simulation was performed using AD Vina in pyrx 0.8 software. Finally, the top Phytoconstituents as the best binders to the active site of protein structures and muscularly agree with massive experimental consequences. The results confirmed that (2R, 3R)-2-(3, 4-dihydroxyphenyl)-3, 4-dihydro-2H-chromene-3, 5, 7-triol and 2-(3, 4-dihydroxyphenyl)-3, 7-dihydroxychromen-4-one can...
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Posted by admin on Oct 31, 2022 in |
The emergency to find a solution to multidrug resistance of bacteria due to the abuse of antibiotics leads to the search for new antibacterial pathways. Quorum sensing (QS), or bacterial cell to cell communication, is a cell-density-dependent bacterial response. It is mediated by hormone-like compounds called autoinducers (AIs). QS-dependent regulation of gene expression controls various phenotypes, including bioluminescence, biofilm formation, drug resistance, virulence factors expression, and motility. Therefore, the inhibition of QS is considered a new promising target of antimicrobial pathways as anti-virulence compounds that can repress the gene expression of QS. Green tea is one of the most commonly consumed teas in the world. Green tea extract is also a great source of compounds like polyphenols, amino acids, enzymes, pigments, and carbohydrates. Hence, green tea has recently received considerable attention as a new source of safe and effective QS inhibitory substances. In the present study, methanolic and ethanolic various tea extracted were prepared and tested to inhibit quorum sensing mediated bacterial virulence factors such as anti-swarming, and antibiofilm potential...
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Posted by admin on Oct 31, 2022 in |
Middle-East Respiratory Syndrome coronavirus (MERS-CoV) can trigger severe acute pneumonia, renal, digestive failure and even death. Coronaviruses express papain-like proteases (PLpro), multipurpose enzymes which had protease activity and can lacerate nonstructural proteins to manipulate the viral polyprotein responsible for replication. They also have deubiquitinating function, which can modify the innate immune response. The reduction of the infection of MERS-CoV is by Inhibition of PLpro with a ligand will wedge the cleavage progression of nonstructural protein. As a result, papain-like protease may be considered as a candidate for antiviral drug production. This current study focuses on screening of extracts from Neem and Eucalyptus for MERS-CoV that could be potentially used as an inhibitor against the disease. Blind molecular docking study was conducted by using Auto Dock followed by visualization using PyMol, which is examined in this existing study. Deacetylgedunin (Neem) and eucalyptol (Eucalyptus) showed successful binding to MERS-CoV papain-like protease based on measured parameters such as root Mean Square Deviation (RMSD), binding capacity and inhibiting constant. The compound Deacetylgedunin found...
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Posted by admin on Oct 31, 2022 in |
Introduction: The spices, despite their taste and flavor, have certain therapeutical uses from ancient days. For this research work, we have chosen some selected spices indefinitely amount. Materials and Methods: Phytochemical analysis, mineral estimation Characterisations such as GC-MS, UV Visible & FTIR spectroscopy, HPLC, HPTLC, and Antioxidant activity were carried out. Results & Discussion: Results of the research have shown that the phytochemicals like Flavonoids, Phenols, and Proteins were found in abundance, Alkaloids, Saponins, Terpenoids, Anthocyanins, Carbohydrates, Xanthoproteins, and Cardiac glycosides are moderately present in the mixture extract and Tannins, Phlobatannins, Coumarins, Emodin, Lekoanthocyanin, Anthroquinone, steroid, Glycosides are present in trace amount. In this study, minerals such as Iron, Sulphur, Manganese, Sodium, Organic carbon, and Zinc were abundantly present in the spices mixture extract. Copper and Phosphorus were moderately present. Calcium, Potassium, Magnesium, Nitrogen, Boron, Selenium, and Molybdenum were present in trace amounts in the mixture extract. Spices mixture extract is a rich source of antioxidant activity. The DPPH assay and total antioxidant activity of spices were carried out,...
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Posted by admin on Oct 31, 2022 in |
The objective of the study is to elucidate the association between thyroid dysfunction and increased risk of developing gestational diabetes mellitus (GDM) and assess the other risk factors for developing GDM. Retrospective observational research was carried out on 204 patients. Of these, pregnant women greater than 18 years were considered and recruited based on inclusion and exclusion criteria. All data and clinical observations were collected, and the prevalence of GDM rose with increasing age, BMI, family history of diabetes, history of GDM, and history of thyroid achieves statistical significance. The incidence of GDM is significantly increased in overt hypothyroid groups compared with other groups. In a group of GDM patients, the mean values of the oral glucose tolerance test (OGTT) were significantly higher in overt hypothyroid patients compared with Euthyroid patients. Interestingly, overt hypothyroid patients with GDM had significantly high mean serum TSH values in their early pregnancy compared to overt hypothyroid patients without GDM, indicating the association between thyroid dysfunction in pregnancy and gestational diabetes mellitus. Patients with...
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