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1. chinaXiv:201711.02420 [pdf]

Novel butynyl group incorporated pyrrolopyrimidine analogues as potent dipeptidyl peptidase IV inhibitors

Shaogao Zeng; Hui Xiea; Lili Zeng; Xin Lu; Xin Zhao; Guicheng Zhang; Zhengchao Tu; Hongjiang Xu; Ling Yang; Xiquan Zhang; Wenhui Hu
Subjects: Physics >> General Physics: Statistical and Quantum Mechanics, Quantum Information, etc.

A new chemical class of potent DPP-IV inhibitors has been structurally derived from our recently disclosed pyrrolopyrimidine scaffold by replacing cyanobenzyl with butynyl group. Systematic variations and structure-activity relationship studies have been conducted on the starting hit 51 (IC50= 0.46 μM). Consequently, compound 78 (IC50= 1.55 nM) was identified to be a potent, selective, and orally available lead, worth further evaluations and optimizations.

submitted time 2017-11-17 Hits886Downloads513 Comment 0

2. chinaXiv:201711.02421 [pdf]

Highly potent depeptidyl peptidase IV inhibitors derived from Alogliptin with the pharmacophore hybridization and lead optimization

Hui Xie; Lili Zeng; Shaogao Zeng; Xin Lu; Xin Zhao; Guicheng ZhangZhengchao Tu; Hongjiang Xu; Ling Yang; Xiquan Zhang; Wenhui Hua?
Subjects: Physics >> General Physics: Statistical and Quantum Mechanics, Quantum Information, etc.

The structural superposition of DPP-IV complex with Alogliptin and Linagliptin displayed a similar binding mode. The butynyl of Linagliptin and cyanobenzyl of Alogliptin occupy the S1 pocket which therefore could be mutually switched. Thus a pharmacophore hybridization of Alogliptin was initiated and led to a novel DPP-IV inhibitor 61. Though it did not exhibit desired activity (IC50= 0.2 礛), the butynyl compound acts as a lead compound triggered a following structural optimization. A novel series of potent DPP-IV inhibitors represented by compound 77 (IC50= 0.36 nM) were obtained with a robust pharmacokinetic profile and better in vitro and in vivo efficacy than Alogliptin.

submitted time 2017-11-17 Hits809Downloads452 Comment 0

3. chinaXiv:201711.02427 [pdf]

Discovery of multiple lead compounds as M2 inhibitors through the screening of a focused library of scaffold-hops

Wenhui Hu; Shaogao Zeng; Chufang Li; Zhiyuan Li; Ling Chen
Subjects: Biology >> Ecology

It is urgent to discover new anti-influenza drugs considering the threat of so called swine flu and Spanish flu. Though Adamantane derivatives are the only M2 inhibitors as anti-influenza virus A drugs, they are limited to use in the US due to drug resistant. Herein we reported that multiple lead compounds as M2 inhibitors were rapidly generated through the screening of focused library designed with scaffold-hopping strategy based on Amantadine.

submitted time 2017-11-17 Hits1210Downloads651 Comment 0

4. chinaXiv:201711.02428 [pdf]

Discovery of Multiple Lead Compounds as M2 Inhibitors through the Focused Screening of a Small Primary Amine Library

Wenhui Hu; Shaogao Zeng; Chufang Li; Yanling Jie; Zhiyuan L; Ling Chen
Subjects: Biology >> Ecology

The discovery of new anti-influenza drugs is urgent, particularly considering the recent threat of swine flu. Although amantadine derivatives are the only M2 drugs for influenza virus A, their use is limited in the US due to drug resistance. Here we report the discovery of multiple M2 inhibitor lead compounds that were rapidly generated through focused screening of a small primary amine library which was designed using a scaffold-hopping strategy based on amantadine.

submitted time 2017-11-17 Hits1174Downloads642 Comment 0

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