Synthesis and biological evaluation of 1,2,4-triazolidine-3-thiones as potent acetylcholinesterase inhibitors: in vitro and in silico analysis through kinetics, chemoinformatics and computational approaches.

Mahajan, Prasad G; Dige, Nilam C; Vanjare, Balasaheb D; Raza, Hussain; Hassan, Mubashir; Seo, Sung-Yum; Kim, Chong- Hyeak; Lee, Ki Hwan

Mahajan, Prasad G; Dige, Nilam C; Vanjare, Balasaheb D; Raza, Hussain; Hassan, Mubashir; Seo, Sung-Yum; Kim, Chong- Hyeak; Lee, Ki Hwan.

Afiliação

Mahajan PG; Department of Chemistry, Kongju National University, Gongju, Chungnam, 32588, Republic of Korea.
Dige NC; Department of Biological Sciences, Kongju National University, Gongju, Chungnam, 32588, Republic of Korea.
Vanjare BD; Department of Chemistry, Kongju National University, Gongju, Chungnam, 32588, Republic of Korea.
Raza H; Department of Biological Sciences, Kongju National University, Gongju, Chungnam, 32588, Republic of Korea.
Hassan M; Institute of Molecular Biology and Biotechnology, The University of Lahore, Defence Road, Lahore, 54590, Pakistan.
Seo SY; Department of Biological Sciences, Kongju National University, Gongju, Chungnam, 32588, Republic of Korea. dnalove@kongju.ac.kr.
Kim CH; Center for Chemical Analysis, Korea Research Institute of Chemical Technology, Yuseong, Daejeon, 34114, Republic of Korea.
Lee KH; Department of Chemistry, Kongju National University, Gongju, Chungnam, 32588, Republic of Korea. khlee@kongju.ac.kr.

Mol Divers ; 24(4): 1185-1203, 2020 Nov.

Article em En | MEDLINE | ID: mdl-31396774

Assuntos

Inibidores da Colinesterase/síntese química; Inibidores da Colinesterase/farmacologia; Tionas/síntese química; Tionas/farmacologia; Acetilcolinesterase/metabolismo; Células Cultivadas; Quimioinformática/métodos; Simulação por Computador; Desenho de Fármacos; Sequestradores de Radicais Livres/síntese química; Sequestradores de Radicais Livres/farmacologia; Humanos; Líquidos Iônicos; Cinética; Simulação de Acoplamento Molecular/métodos; Relação Estrutura-Atividade

Palavras-chave

1,2,4-triazolidine-3-thiones; Acetylcholinesterase inhibition; Ionic liquid; Lipinski rule; Molecular docking

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Tionas / Inibidores da Colinesterase Limite: Humans Idioma: En Revista: Mol Divers Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2020 Tipo de documento: Article País de publicação: Holanda

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