Design of gp120 HIV-1 entry inhibitors by scaffold hopping via isosteric replacements.
Design of gp120 HIV-1 entry inhibitors by scaffold hopping via isosteric replacements.
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DOI：
10.1016/j.ejmech.2021.113681
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发表时间：
2021-11-15
影响因子：
6.7
通讯作者：
Debnath AK
中科院分区：
文献类型：
--
作者：
Iusupov IR;Curreli F;Spiridonov EA;Markov PO;Ahmed S;Belov DS;Manasova EV;Altieri A;Kurkin AV;Debnath AK
我们提出了替代支架的开发和验证其合成途径作为一种工具，用于探索新的HIV gp 120抑制剂的基础上，最近发现的抑制剂这一类，NBD-14136。新的合成路线基于NBD-14136合成所需的胺和酸前体的电子等排置换，并以分子建模和化学可行性分析为指导。为了确保这些合成工具和新支架具有进一步探索的潜力，我们最终测试了来自每个新设计的支架的几种代表性化合物对gp 120抑制测定和细胞活力测定。
We present the development of alternative scaffolds and validation of their synthetic pathways as a tool for the exploration of new HIV gp120 inhibitors based on the recently discovered inhibitor of this class, NBD-14136. The new synthetic routes were based on isosteric replacements of the amine and acid precursors required for the synthesis of NBD-14136, guided by molecular modeling and chemical feasibility analysis. To ensure that these synthetic tools and new scaffolds had the potential for further exploration, we eventually tested few representative compounds from each newly designed scaffold against the gp120 inhibition assay and cell viability assays.
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影响因子：
7.3
作者：
Curreli F;Kwon YD;Zhang H;Scacalossi D;Belov DS;Tikhonov AA;Andreev IA;Altieri A;Kurkin AV;Kwong PD;Debnath AK
通讯作者：
Debnath AK
影响因子：
7.3
作者：
Curreli, Francesca;Kwon, Young Do;Debnath, Asim K.
通讯作者：
Debnath, Asim K.
影响因子：
2.9
作者：
Schon, Arne;Madani, Navid;Freire, Ernesto
通讯作者：
Freire, Ernesto
影响因子：
3.8
作者：
Kombarov, Roman;Altieri, Andrea;Titarenko, Zoya
通讯作者：
Titarenko, Zoya
影响因子：
5.5
作者：
Roos, Katarina;Wu, Chuanjie;Harder, Edward D.
通讯作者：
Harder, Edward D.