Novel Anti-ageing Strategy Via Targeting CST With Vitamin B۱

Biological aging is a complex and inevitable process. Cellular and tissue functionality declines progressively, and diseases associated with aging are developed. One of the hallmarks of aging at the molecular dimension is telomere shortening, which contributes to the promotion of cellular senescence and genomic instability. The CST (Ctc۱-Stn۱-Ten۱) complex is essential for the accurate replication and protection of the telomere, serving as a promising target for anti-aging therapies. Recent research indicates the potential for targeting the CST complex. Furthermore, there is an increasing interest in the influence of micronutrients, including vitamin B۱, on the regulation of cellular mechanisms associated with telomere activity and senescence. The potential of vitamin B۱ as a modulator of the CST complex activity in aging and telomere maintenance was examined in this work. MODELLER was used to model the missing residues and complete the crystal structure of the CST complex. Molecular docking simulations were used to examine the optimized structure's binding affinity with vitamin B۱. The binding energy of the best-ranked docking pose of vitamin B۱ was -۴.۸ kcal/mol, showing that this compound interacts favorably with the CST complex. Key interactions involve amino acid residues important for the functionality of the complex; thus, it suggests that vitamin B۱ may affect CST-mediated telomere processes. These findings support the potential of vitamin B۱ as a modulator of the CST complex and offer a foundation for the development of anti-aging therapeutic strategies. High-throughput screening of large chemical libraries using sophisticated computational methods like molecular docking, virtual screening, and machine learning algorithms will be essential to find strong and specific CST modulators. The development of innovative therapeutic strategies to modulate telomere maintenance and potentially lessen the effects of aging will be made possible by these approaches, which will make it possible to identify compounds with high binding affinity, selectivity for the CST complex, and favorable drug-like properties.

کلیدواژه ها:

aging ، CST complex ، telomere maintenance ، vitamin B۱ ، molecular docking