吲哚 - 4 - 酮的理论反应活性研究及其与抗真菌活性的相关性
Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity.
作者信息
Zermeño-Macías María de Los Ángeles, González-Chávez Marco Martín, Méndez Francisco, González-Chávez Rodolfo, Richaud Arlette
机构信息
Posgrado en Ciencias Farmacobiológicas, Universidad Autónoma de San Luis Potosí, 78210 San Luis Potosí, Mexico.
Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, Av. Dr. Manuel Nava No. 6 Zona Universitaria, 78210 San Luis Potosí, Mexico.
出版信息
Molecules. 2017 Mar 8;22(3):427. doi: 10.3390/molecules22030427.
Abstract
Chemical reactivity descriptors of indol-4-ones obtained via density functional theory (DFT) and hard-soft acid-base (HSAB) principle were calculated to prove their contribution in antifungal activity [...].
摘要
通过密度泛函理论（DFT）和软硬酸碱（HSAB）原理计算了吲哚-4-酮的化学反应性描述符，以证明它们在抗真菌活性中的作用[...]。
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