In-silico and in-vitro studies of green tea and black tea extracts for anti-inflammatory effects Pramodkumar P Gupta, Mala Parab, Varsha Ghanshani, Debjani Dasgupta School of Biotechnology and Bioinformatics, D Y Patil Deemed to be University, India Inflammation is the body's rapid reaction to infections, noxious stimuli such as chemicals, or physical injuries causing damage to its tissues and cells. Previous studies have shown that Green and Black tea have beneficial effects against a variety of diseases such as cancer, obesity, diabetes, cardiovascular disease, and neurodegenerative diseases. The present study evaluated and compared the anti-inflammatory effects of aqueous extracts of green tea and black tea leaves ( Camellia sinensis ) against the denaturation of protein in vitro . Here we performed molecular docking with FABP4 and known drugs Ibuprofen, and Diclofenac compared with Quercetin. The binding site was considered as the default from the x-ray crystallographic data. Both known drugs Ibuprofen and diclofenac including our selected Quercetin successfully occupied the conformational space within the binding site region and exhibited a positive pharmacophoric interaction with numerous H-bonds, pi, and Vanderwaal interactions. The binding energy for FABP4_Ibuprofen: -6.3 kcal/mol, FABP4_Diclofenac: -7.1 kcal/mol, and FABP4_Quercetin: -7.7 kcal/mol. During the phytochemical essays, the high content of steroid, flavonoid, and alkaloid have given satisfactory results. The membrane stabilization analysis revealed a concentration-dependent protection of protein denaturation by both the tea extracts. Assays such as hydrogen peroxide acid, as well as nitrate oxide assays, exhibited anti-inflammatory activity of the compounds under study. MTT analysis demonstrated no significant inhibition of normal cell line models, indicating safety for cells. Also on comparative analysis green tea was found to be more active than black tea, plausibly due to the higher flavonoid contents of green tea. References 1. Acting on the cytokine balance to control auto-immunity and chronic inflammation - PubMed. (n.d.). Retrieved June 27, 2022, from https://pubmed.ncbi.nlm.nih.gov/8268414/ 2. Andrea, M., Susanna, B., Francesca, N., Enrico, M., & Alessandra, V. (2021). The emerging role of type 2 inflammation in asthma. Expert Review of Clinical Immunology, 17(1), 63–71. https://doi.org/10.1080/1744666X.2020.1860755 3. Andres, S., Pevny, S., Ziegenhagen, R., Bakhiya, N., Schäfer, B., Hirsch-Ernst, K. I., & Lampen, A. (2018). Safety Aspects of the Use of Quercetin as a Dietary Supplement. Molecular Nutrition & Food Research, 62(1). https://doi.org/10.1002/ MNFR.201700447 4. Asgharian, P., Tazehkand, A. P., Soofiyani, S. R., Hosseini, K., Martorell, M., Tarhriz, V., Ahangari, H., Cruz-Martins, N., Sharifi-Rad, J., Almarhoon, Z. M., Ydyrys, A., Nurzhanyat, A., Yessenbekova, A., & Cho, W. C. (2021). Quercetin Impact in Pancreatic Cancer: An Overview on Its Therapeutic Effects. Oxidative Medicine and Cellular Longevity, 2021. https://doi. org/10.1155/2021/4393266 5. Barber-Mayer, K. D., & Barber, D. L. (2015). Innate and Adaptive Cellular Immune Responses to Mycobacterium tuberculosis Infection. Cold Spring Harbor Perspectives in Medicine, 5(12). https://doi.org/10.1101/CSHPERSPECT.A018424
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