Cu(II)-based complex loaded with drug paclitaxel hydrogels against thyroid cancer and optimizing novel derivatives

Abstract This study introduces a novel approach for synthesizing a Cu(II)-based coordination polymer (CP), {[Cu(L)(4,4´-OBA)]·H 2 O}n ( 1 ), using a mixed ligand method. The CP was successfully prepared by reacting Cu(NO 3 ) 2 ·3H 2 O with the ligand 3,6-bis(benzimidazol-1-yl)pyridazine in the presence of 4,4´-H 2 OBA, demonstrating an innovative synthesis strategy. Furthermore, a novel hydrogel composed of hyaluronic acid (HA) and carboxymethyl chitosan (CMCS) with a porous structure was developed for drug delivery purposes. This hydrogel facilitates the encapsulation of CP 1 , and enables the loading of paclitaxel onto the composite to form HA/CMCS-CP 1 @paclitaxel. In vitro cell experiments demonstrated the promising modulation of thyroid cancer biomarker genes S100A6 and ARID1A by HA/CMCS-CP 1 @paclitaxel. Finally, reinforcement learning simulations were employed to optimize novel metal–organic frameworks, underscoring the innovative contributions of this study.