Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-HT2AR antagonists with the potential for design of new atypical antipsychotics-Reference-Cited by-同舟云学术

Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-HT2AR antagonists with the potential for design of new atypical antipsychotics

Published:2022-11-21 Issue: Volume: Page:
ISSN:1381-1991
Container-title:Molecular Diversity
language:en
Short-container-title:Mol Divers

Author:

Martins Allana Faustino,de Campos Luana Janaína,Conda-Sheridan Martin,de Melo Eduardo Borges^ORCID

Funder

Fundação Araucária

CNPq

Startup funds from UNMC

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s11030-022-10553-y.pdf

Reference56 articles.

1. Tordjman S, Najjar I, Bellissant E et al (2013) Advances in the research of melatonin in autism spectrum disorders: literature review and new perspectives. Int J Mol Sci 14:20508–20542. https://doi.org/10.3390/ijms141020508

2. Eissa N, Al-Houqani M, Sadeq A et al (2018) Current enlightenment about etiology and pharmacological treatment of autism spectrum disorder. Front Neurosci 12:304. https://doi.org/10.3389/fnins.2018.00304

3. Chen X, Sun Y, Fu L et al (2016) Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics. Eur J Med Chem 123:332–353. https://doi.org/10.1016/j.ejmech.2016.07.038

4. Kimura KT, Asada H, Inoue A et al (2019) Structures of the 5-HT2A receptor in complex with the antipsychotics risperidone and zotepine. Nat Struct Mol Biol 26:121–128. https://doi.org/10.1038/s41594-018-0180-z

5. Zhang G, Stackman Jr RW (2015) The role of serotonin 5-HT2A receptors in memory and cognition. Front Pharmacol 6:225. https://doi.org/10.3389/fphar.2015.00225