Published Paper Details:

Spectroscopy, specifically NMR spectroscopy, was used to study the interaction of matter with electromagnetic radiation and characterize molecules like pyrimidine and its analogues. A Proline-complex-catalyzed multicomponent synthesis of pyrimidine was developed, optimizing reaction conditions through adjustments in temperature, time, molar ratios, and catalyst concentration. Molecular docking analysis demonstrated the synthesized compound's potential as an anti-cancer agent by exhibiting strong binding affinity and stable interactions with the Ras protein KRAS, commonly associated with cancer development. Additionally, the compound showed promising interactions with the HNMT protein, suggesting its potential for managing histaminic diseases. These findings emphasize the importance of spectroscopy, multicomponent synthesis, and molecular docking in drug discovery, offering insights into molecular interactions and aiding in the design of therapeutic agents.