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Abstract

Nowadays, depression is a severe neuropsychiatric disorder affecting millions of people worldwide and has profound impacts on individuals, the economy, and society. Due to several limitations of currently available antidepressant drugs, including delayed onset of action, limited efficacy, and various side effects, there is a continuing need for the development of innovative, effective, and safer therapeutic agents. In this context, the present work describes a green and sustainable approach for the synthesis of dihydropyrido[2,3-d]pyrimidine derivatives using TiO2 nanoparticles as an efficient and reusable catalytic system. The one-pot multicomponent reaction was carried out under mild conditions and demonstrated several advantages such as short reaction time, operational simplicity, and reduced formation of hazardous by-products. Moreover, the developed protocol follows the principles of green chemistry, providing an environmentally friendly and potentially cost-effective synthetic strategy. The synthesized compounds were characterized using various spectroscopic techniques to confirm their structural identity and purity. In addition, a comprehensive computational study was conducted to explore the potential neuropsychiatric relevance of the synthesized compounds. Molecular docking simulations were performed against key central nervous system (CNS) targets involved in the pathophysiology of depression, including serotonin transporters and monoamine oxidase enzymes. The docking results suggested favorable binding affinities and notable interactions with active-site residues, showing comparable docking interactions to those observed for the reference antidepressant drug Paroxetine. However, these findings are based solely on computational predictions; therefore, further in vitro and in vivo biological studies are required to confirm the potential antidepressant activity of these compounds.

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