మెడిసినల్ కెమిస్ట్రీ

Molecular hybridization in drug design is proved to be very successful approach to provide new chemical entities with potential activities and desirable physicochemical properties. Histone Deacetylases (HDACs) are a group of enzymes that are involved in controlling the behavior and route of acetylation of histone and non-histone proteins. Inhibition of HDACs causes inhibition of cell growth, differentiation, changes in gene expression and death. Hybrid molecules of Benzothiazole cross-linked with hydroxamic acid through an amino acid or aminoalkanoic acid were considered. The suggested hybrids (2A-E) were subjected to molecular docking to evaluate their binding affinities with HDAC8 (PDB ID: 1T69). These hybrids (2A-E) recorded lower ΔG (-8.117, -6.322, -8.16, -7.939, - 9.46, respectively) than Vorinostat (suberoylanilide hydroxamic acid, SAHA), as the reference ligand (-5.375). Compound 2E (Benzothiazole cross-linked with hydroxamic acid by a p-aminobenzoic acid) has recorded the lowest docking score of -9.460 and this may indicate that it has the highest inhibitory activity. Docking scores represent the required energy for binding to receptor and calculated as ΔG (kcal/mol). Computational methods for the characterization of the investigated hybrids were employed using the SwissADME server to predict the ADME parameters (Absorption, Distribution, Metabolism and Excretion) and other physicochemical properties. Hybrids showed no violations from Lipinski’s rule and complied with all parameters. As indicated from the predicted results, all hybrids have low possible passive oral absorption and no penetration into BBB. The hybrids 2B and 2D may be considered as P-gp substrates. SAHA does not inhibit any of the CYP enzymes used in this study, while, the hybrids 2B, 2D and 2E have shown possible inhibitory activities. These interesting results are very encouraging to proceed for the synthesis of these successful candidates and performing cytotocity evaluation. The hybrids 2D and 2E showed significant and remarkable activity on lung cancer cell line type A549, in comparison with SAHA results.

Allergic skin reactions can be both distressing and uncomfortable, affecting people of all ages. These reactions can manifest in various ways, from itching and redness to hives and eczema. Dermatologists play a crucial role in diagnosing and treating allergic skin conditions. In this article, we'll explore dermatologist-approved anti-allergic skincare tips to help you manage and prevent allergic reactions. We'll cover topics such as identifying allergens, choosing hypoallergenic products, maintaining proper skincare routines, and seeking professional advice. By following these expert recommendations, you can better care for your sensitive skin and reduce the risk of allergic flare-ups.

Allergies are a common concern for parents, affecting millions of children worldwide. Effective anti-allergic parenting strategies can make a significant difference in a child's quality of life. This article explores the various aspects of children and allergies, from understanding allergies and their triggers to implementing practical strategies to create an allergy-friendly environment at home. Allergies are an increasingly prevalent health concern in children, affecting their overall well-being and quality of life. As parents, it is crucial to be well-informed about allergies, their causes, and effective strategies for anti-allergic parenting. This article delves into the world of children and allergies, providing insights, guidance, and practical solutions to help parents create a safer and healthier environment for their allergic children.

Biomarkers have become indispensable tools in modern chemical pharmacology. These molecular indicators offer valuable insights into the efficacy and safety of drugs, providing crucial data that can guide drug development and patient treatment. This article explores the pivotal role of biomarkers in enhancing drug efficacy and safety, shedding light on their applications in various stages of drug development, from target identification to clinical trials and personalized medicine. We delve into the diverse types of biomarkers, their mechanisms, and their potential to revolutionize the pharmaceutical industry. Additionally, we discuss the challenges and opportunities associated with biomarker utilization and their impact on the future of pharmacology.

Food allergies have become a growing concern in recent years, affecting millions of people worldwide. In response to this rising trend, individuals with food allergies and their caregivers are seeking effective ways to manage their condition. Anti-allergic diets, tailored to accommodate allergenfree eating, have emerged as a valuable tool in helping people live safe and healthy lives. This article explores the intricate world of food allergies, their prevalence, causes, and manifestations. It also delves into the role of anti-allergic diets in mitigating allergic reactions and improving the quality of life for those affected. Food allergies are a growing concern in today's world, affecting people of all ages, races, and backgrounds. The prevalence of food allergies has increased significantly in recent decades, with a notable impact on the quality of life for millions of individuals and their families. As a result, there is a growing need to understand food allergies, their causes, and how to effectively manage them. Anti-allergic diets, tailored to accommodate allergen-free eating, have emerged as a powerful tool to help individuals with food allergies live safer and healthier lives.