Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study

Abstract

In the present study, a library of important enantiopure dispirooxindole [indolizidine, pyrrolizidine, and pyrrolidine] with three or four contiguous, and two quaternary stereogenic centers using different amino acids (Pipecolic acid,...

Elucidating anticancer drugs release from UiO-66 as a carrier through the computational approaches

“…[48][49][50] MD simulations are particularly useful for understanding the structure-function relationship of biomolecules and for drug discovery. [51][52][53][54][55][56][57][58] This study aimed to computationally investigate the effect of temperature increase on the release of anticancer drugs temozolomide (TMZ), alendronate (Ald), and 5-uorouracil (5-FU) 24,59,60 that have already loaded into the UiO-66 cavities. 61 These drugs share a common characteristic, they all interfere with cellular processes (DNA synthesis in cancer cells) to achieve their therapeutic effects.…”