• RENUGADEVI T
• SUNIL GUPTA

The discovery of new therapeutic molecules remains essential for improving treatment options for cancer and other major diseases. In this study, eight novel synthetic compounds were designed using molecular modelling and then prepared through simple organic reactions. Their structures were confirmed using NMR, MS, and HPLC. The compounds were tested against selected cancer cell lines (MCF-7, A549, HeLa, and HCT116). One compound, CPD-03, exhibited strong activity with an IC₅₀ of 14 nM. Structure–activity relationship (SAR) analysis showed that specific substitutions such as N-oxide or electron-withdrawing groups enhanced activity. This article presents a simple overview of the design steps, synthesis strategy, characterization methods, and biological results. The study contributes to the development of new molecules with therapeutic potential.

Structure-based design; spirooxindole; benzothiazole; synthesis; IC₅₀; CETSA; SAR; ADME.

"Creation, Synthesis, and Biological Screening of Emerging Compounds to Target Specific Diseases", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.11, Issue 2, page no.h1-h5, February-2024, Available :http://www.jetir.org/papers/JETIR2402726.pdf

"Creation, Synthesis, and Biological Screening of Emerging Compounds to Target Specific Diseases", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.11, Issue 2, page no. pph1-h5, February-2024, Available at : http://www.jetir.org/papers/JETIR2402726.pdf