synthesis and docking study on thiadiazolo[3,2-a][1,3]diazepin-8(5h)-one derivatives as selective gaba(a) agonists
Authors
abstract
hie-124 is a new member of ultra-short acting hypnotics’ drug family. in this research, the synthesis ofanalogues of hie-124 drug in the heterocyclic thiazole ring replaced to thiadiazole, will be presented.thiadiazolodiazepines during a two-step reaction starting from the amino thiadiazole resultedfrom-various derivatives of benzoic acid and thiosemicarbazide were synthesized. in the first step, thereaction of synthetic raw material 2-amino thiadiazole and 4-chlorobutyrilchloride in toluene solventgive the 4-chloro-n-(5-(methyl/aryl)-1,3,4-thiadiazol-2-yl) butanamide intermediate. in the nextstep, from the cyclization reaction of this intermediate ring in the presence of base under reflux, thetarget products are synthesized. structure of products was identified based on ir, hnmr and cnmrspectroscopy analysis. then, the procedure of docking of ligands were performed on the activesite of gabaa that the common residues involved in allosteric modulators such as benzodiazepinesand hie-124 include asn82, asn81, phe79, met1, tyr106, ala38 and ala168. consequently,these docking calculations suggest that these new compounds might be having better interactionresults between receptor (gabaa) than hie-124.
similar resources
Synthesis and Docking Study on Thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one Derivatives as Selective GABAA agonists
HIE-124 is the new member of ultra-short acting hypnotics drug family. In this research, thiadiazole can act as the bio-isosteric replacement of thiazole in synthesized compounds as HIE-124 derivatives. HIE-124 drug, in which the heterocyclic thiazole ring replaced to thiadiazole, will be presented. Thiadiazolodiazepines were synthesized by a two-step reaction starting from the amino thiadiazol...
full textSynthesis and docking study on thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one derivatives as selective GABA(A) agonists
HIE-124 is a new member of ultra-short acting hypnotics’ drug family. In this research, the synthesis ofanalogues of HIE-124 drug in the heterocyclic thiazole ring replaced to thiadiazole, will be presented.Thiadiazolodiazepines during a two-step reaction starting from the amino thiadiazole resultedfrom-various derivatives of benzoic acid and thiosemicarbazide were synthesized. In the first ste...
full textSynthesis, X-Rays Analysis, Docking Study and Cholinesterase Inhibition Activity of 2,3-dihydroquinazolin-4(1H)-one Derivatives
In search of potent cholinesterase inhibitors, we have carried out the synthesis and biologically evaluation of various benzaldehyde based 2,3-dihydroquinazolin-4(1H)-one derivatives. In vitro assay results revealed that all the synthesized compounds showed activity against both enzymes (AChE and BChE) and in few cases, the inhibition activity was even higher than or comp...
full textSynthesis, activity, and docking study of phenylthiazole acids as potential agonists of PPARγ
Peroxisome proliferator-activated receptor gamma (PPARγ) is a ligand-mediated transcription factor playing key roles in glucose and lipid homeostasis, and PPARγ ligands possess therapeutic potential in these as well as other areas. In this study, a series of phenylthiazole acids have been synthesized and evaluated for agonistic activity by a convenient fluorescence polarization-based PPARγ liga...
full textMolecular docking studies on pyridine derivatives of glitazones as PPARy agonists
FlexX software has been employed to perform molecular docking analysis on a series of glitazones in the act ive site of PPARy. FlexX scores and interaction energies of glitazones have been compared with those of the correspond ing pyridine analogs. The results point out that the binding affinities do not significantly change due to the benzene versus pyridine substitution in the central ring of...
full textSynthesis, Biological Evaluation and Docking Analysis of Some Novel Quinazolin Derivatives as Antitumor Agents
Different acid chlorides (2a-d) reacted with anthranilic acid to produce 2-substituted-3, 1-benzoxazin-4-one (3a-d) which was used as starting material to synthesize some condensed and non-condensed heterocyclic compounds by reaction with nitrogen nucleophiles e.g., hydrazine hydrate, and formamide. Some of the newly synthesized analogues were chosen to evaluate their cytotoxic activity against...
full textMy Resources
Save resource for easier access later
Journal title:
journal of pharmaceutical and health sciencesجلد ۴، شماره ۲، صفحات ۱۰۱-۱۰۸
Hosted on Doprax cloud platform doprax.com
copyright © 2015-2023