In-silico Designing and Docking of Novel N’-(Substituted 2-Chlorophenyl)-2-(1, 3-benzodioxo-5-carbylidene) Hydrazine Carboamide as Anticonvulsant Agent

Ajeet^1, , Pradeep Kumar¹ and Nishi Gupta¹

¹Department of Pharmaceutical Chemistry, Institute of Pharmaceutical Sciences and Research (IPSR), Unnao, Uttar Pradesh, India

Cite this paper:
Ajeet, Pradeep Kumar and Nishi Gupta. In-silico Designing and Docking of Novel N’-(Substituted 2-Chlorophenyl)-2-(1, 3-benzodioxo-5-carbylidene) Hydrazine Carboamide as Anticonvulsant Agent. American Journal of Pharmacological Sciences. 2016; 4(1):1-6. doi: 10.12691/ajps-4-1-1

Abstract

A series of N’-(Substituted 2-Chlorophenyl)-2-(1, 3-benzodioxo-5-carbylidene) Hydrazine carboamide were designed and carried with in-silico methods keeping in view the structural requirement of pharmacophore as potent anticonvulsant agents. These agents were then screened on the basis of docking procedures and further docking analysis of novel agents has been performed. The docking analysis reveals that compounds IPSR2, IPSR3, IPSR6 and IPSR9 perfectly docked with the T-type calcium channel with the highest bonding affinity range (-7 Kcal/mol to -7.5 Kcal/mol) and hydrogen bonds (5 to 7). Compounds IPSR4, IPSR5, IPSR7 and IPSR8 are found to dock with Na-channel with the bonding affinity range (-7.5 Kcal/mol to -8.3 Kcal/mol) and hydrogen bond (4 to 6). IPSR10 is found to dock with Glutamate receptor with significant bonding affinity and hydrogen bonds.

Keywords:
hydrazine carboamide derivatives anticonvulsant agent In-silico docking AutoDock Vina

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