Ma, Min; Jiang, Xingjun; Wang, Xueding; Zou, Hao; Yang, Weiqing; Zhang, Yuanyuan; Peng, Changrong; Li, Zicheng; Yang, Jing; Du, Quan; Ma, Menglin published an article in 2016, the title of the article was Synthesis and Quantitative Structure-activity Relationships Study for Arylpropenamide Derivatives as Inhibitors of Hepatitis B Virus Replication.Name: 2-(4-Methylbenzamido)acetic acid And the article contains the following content:
A series of new arylpropenamide derivatives containing different aryl groups were synthesized, characterized, and evaluated for their anti-hepatitis B virus (HBV) activities. A new high accuracy QSAR model of arylpropenamide was constructed based on a more completely activities data and calculation parameter. The 2D-QSAR equations, by using DFT and multiple linear regression anal. methods, revealed that higher value of thermal energy (TE) and lower entropy Sn.1257 increase the anti-HBV activities of the arylpropenamide mols. Predictive 3D-QSAR models were established by SYBYL multifit mol. alignment rule. The optimum models were all statistically significant with cross-validated and conventional coefficients, indicating that they were reliable enough for activity prediction. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Name: 2-(4-Methylbenzamido)acetic acid
The Article related to aryl propenamide derivative preparation structure antiviral hepatitis b, 2d-qsar, 3d-qsar, sybyl, arylpropenamide, hepatitis b virus, Pharmacology: Structure-Activity and other aspects.Name: 2-(4-Methylbenzamido)acetic acid
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics