Background: Rheumatoid arthritis is an inflammatory and chronic disease of the joints affecting 1% of the world’s population. Women are three times more likely to be affected than men. Many drugs are being used for the treatment of rheumatoid arthritis but they often have severe side effects. C-C motif chemokine ligand 28 (CCL28) recruits leukocytes and other proinflammatory factors to the site of joint inflammation. The purpose of the present research is the computational evaluation of astragalin, a natural flavonoid extracted from black tea, as an inhibitor of CCL28 by in silico docking. Methods: The three-dimensional structure of CCL28 to act as a molecular target was obtained from the Protein Data Bank (PDB ID: 6CWS). The quality of the CCL28 structure was assessed using Phyre2 and Molecular Operating Environment (MOE) software was used for binding affinity analysis. Astragalin served as a ligand for docking and naproxen, a known drug for rheumatoid arthritis, was used as a standard for comparison. Results: In molecular docking, astragalin showed significant binding affinity with the CCL28 target molecule, with a binding energy of -5.40 kcal/mol, in comparison with naproxen which has a binding energy of -4.87 kcal/mol. Astragalin has strong binding affinity for CCL28 as compared to standard naproxen. Conclusion: This study revealed that astragalin could have the potential to serve as an inhibitor of CCL28 for the treatment of rheumatoid arthritis.
Genetic variations could be involved in the pathogenesis of diabetes. Type 2 diabetes (T2DM) accounts for 90% of all diabetes cases worldwide, however, the percentage is higher in the South Asian region. In this study, we observed the single nucleotide polymorphism (SNP) in GTF2H1 and SULF1 genes to find the association of smoking leading to T2DM. A total of 150 individuals (100 T2DM patients and 50 controls) were included in this study. Tetra ARMS-PCR was performed to study polymorphic genotyping. The data showed non-significant allelic associations of GTF2H1 rs4150558 (P=0.389228) and SULF1 rs6990375 (P=0.45124) confidence for smoking with T2DM occurrence. Both T2DM cases and controls were in Hardy–Weinberg equilibrium indicated the significant outcomes. The pooled odds ratios were calculated to evaluate the association between GTF2H4 and SULF1 polymorphisms and the risk of smoking, age, depression, energy-rich diet, obesity, and alcohol consumption adverse effects. Smoking was not found progressive risk factor of T2DM as compared to cholesterol level, depression, hormonal imbalance, healthy diet, or energy-rich diet. This study revealed that the irrational style of individuals of Southern Punjab brought a significant change in SNPs and is a greater risk for the progression of this T2DM. These molecular variants GTF2H1 and SULF1 could be used as genetic biomarkers to find the association of smoking with cancer but not with T2DM.
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