Modeling and interactions analysis of the novel antagonist agent flibanserin with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor as a HSDD treatment in premenopausal women
Journal Title: Eurasian Chemical Communications - Year 2019, Vol 1, Issue 0
Abstract
Flibanserin is a novel antagonist small molecule to treat the hypoactive sexual desire disorder (HSDD) in the premenopausal women. The present article is related to the structural and electronic properties study and docking analysis of the title compound with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor. To access these aims, the molecular structure of the said compound was optimized using density functional theory (DFT) computational method (B3LYP) with 6-31+G(d,p) basis set at room temperature. In continuous, the frontier molecular orbitals (FMOs) theory used to investigate the stability and reactivity of flibanserin. The mentioned studies showed that the molecule under investigation is a compound with high stability. The docking analysis was used to understand the nature of receptor-ligand interactions. Our study indicated that the steric interactions play main role in ligand-receptor complex formation.
Authors and Affiliations
Mehdi Nabati
Keywords
Related Articles
- EP ID EP658104
- DOI 10.33945/SAMI/ECC.2019.3.9
- Views 127
- Downloads 0
An efficient and one-pot green synthesis of 2-arylsubstituted benzimidazoles catalyzed by nano-Fe3O4@silica sulfuric acid as a recyclable nanomagnetic solid acid catalyst
An efficient and green protocol for the synthesis of 2-arylsubstituted benzimidazoles via a condensation reaction of aromatic aldehydes and 1,2-phenylenediamine using nano-Fe3O4@SiO-SO3H as a solid acid catalyst in ethan...
Modified nano-γ-alumina with 2,4-dinitrophenyl hydrazine as an efficient adsorbent for the removal of Everzol Red 3BS dye from aqueous solutions
In the present study, a new and efficient sorbent for the removal of Everzol Red 3BS dye from aqueous solutions were prepared by immobilization of 2,4-dinitrophenyl hydrazine (DNPH) on γ-alumina (γ-Al2O3) nanoparticles...
Intravenous promethazine vs. diazepam to reduce symptoms of peripheral vertigo in emergency section: a double blind clinical trial
The present research aimed to compare the effectiveness of promethazine and diazepam in patients suffering from acute peripheral vertigo. This is a double blind clinical trial with a sample of 154 patients visiting the e...
Electrospun polystyrene nanofiber adsorbent for solid phase extraction of phenol as its quinoid derivative from aqueous solutions
In the present study, polystyrene nanofibers (PS NFs) were synthesized by electrospinning method and used as adsorbent in solid phase extraction of phenol from aqueous solutions. Phenol was reacted with 4-aminoantipyrine...
A novel inexpensive method for preparation of silk nanofibers from cocoons
In the present study , a novel method for the production of silk nano fibers are presented . In this way , a mechanical and easy technique is used instead of toxic and costly chemical methods . Also , the separation of s...