Organic Chemistry
1. Molecular Modeling of 3-(1,3-Dioxoisoindolin-2-yl)benzyl Nitrate and its Molecular Docking Study with Phosphodiesterase-5 (PDE5)

Mehdi Nabati; Vida Bodaghi-Namileh

Volume 3, Issue 1, pp. 1-110. , Winter 2020, , Pages 58-69

http://dx.doi.org/10.33945/SAMI/AJCA.2020.1.7

Abstract
  In this study, the electronic properties of the novel medicinal compound 3-(1,3-dioxoisoindolin-2-yl) benzyl nitrate as a treatment of sickle cell disease are obtained using density functional theory (DFT) method. In first step, the molecular structure of the title compound is optimized at B3LYP/6-311++G(d,p) ...  Read More

Molecular Modeling of 3-(1,3-Dioxoisoindolin-2-yl)benzyl Nitrate and its Molecular Docking Study with Phosphodiesterase-5 (PDE5)