Microwave-Assisted Synthesis, in silico ADME Prediction and Antibacterial Study of 2-(Substituted acetamido)-5-Nitrobenzophenone Derivatives

Tiangang Li1, Sandeep Singh2, Xing Zhai1, Xiangqi Meng3,* and Rajesh K. Singh2,*

1Beijing University of Chinese Medicine, 11 Bei San Huan Dong Lu, ChaoYang District, Beijing 100029, P.R. China

2Department of Pharmaceutical Chemistry, Shivalik College of Pharmacy, Rupnagar-140126, India

3Beijing University of Chinese Medicine, Dongzhimen Hospital, Dongcheng District, Beijing 100700, P.R. China

*Corresponding authors: E-mail: rksingh244@gmail.com, xiangqimengbucm@126.com

Abstract

A series of novel 2-amino-5-nitrobenzophenone derivatives (3-10) were synthesized and characterized by IR, 1H NMR and CHN elemental studies. All the synthesized compounds were subjected to in silico ADME predictions for determination for drug like properties. The values of physico-chemical parameters like molecular weight, nON value, nOHNH value, n-violations and the number of rotatable bonds of all the synthesized compounds also lies between the ranges that are required for good bioavailability. The synthesized compounds were tested for their in vitro antibacterial activity against the Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria. Among all the compounds synthesized compounds 4, 9, 10 have shown the maximum antibacterial activity in their group whereas compounds 3, 6, 8 have shown the minimum antibacterial activity.

Keywords

2-Aminobenzophenone, Physicochemical parameters, ADME, Lipinski's rule of five, Anti-bacterial activity.

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