• Mounika.Perli
• R.Govindarajan

In this study, new entities of 1, 4-substitued piperazine derivatives were synthesized in good yields (60-89%). Scheme1 synthesis of Piperazine derivative compounds of 1-Piperazino-2-(2, 3, 4, 9-tetrahydro-1H-9-carbazolyl)-1-ethanone was added to the P-Substituted Sulfonyl Chloride Derivatives forms the final products of 2-(2, 3, 4, 9-tetrahydro1H-9carbazolyl) Piperazine Substituted Sulfonyl Derivatives. Scheme2 synthesis of Piperazine and 1,3-Dioxoane derivative compounds of 6, 7, 8, 9-tetrahydro-9-((2-(piperazin-1-yl)-1, 3-dioxolan-2-yl) methyl)-5H-carbazole was added to the P-substituted Sulfonyl Chlorides forms the final products of 2-((5, 6, 7, 8-tetrahydrocarbazol-9-yl) 1, 3-dioxolan-2-yl) substituted Sulfonyl Derivatives. All the Synthesized compound derivatives were purified by appropriate solvents and characterized by Melting Point, TLC, IR and NMR (1H&13C) spectroscopy. Synthesized derivative compounds against 1EVE, 2BU8 molecular docking simulation was carried out with AUTODOCK VINA and Insilco ADMET Prediction Procedures. The results of docking study revealed that the binding profile for synthesized derivative compounds M4, M5, M6, M7, and K6 was found significant interactions with Donepezil due to hydrogen bond, hydrophobic interactions like π–π Stacking interaction and π-alkyl stacking interactions with catalytic active site (CAS) of 1EVE. M6, K1, K4, K5, K6 and K7 was found significant interactions with Piperazine Analogue due to hydrogen bond, hydrophobic interactions like π–sigma Stacking interaction, π-alkyl stacking interactions and alkyl stacking interactions with CAS of 1BU8. The predicted ADMET properties revealed that all compounds fulfil drug-like criteria and could be considered as good candidate for drug development. All the synthesized compound derivatives have Standard Drug (Donepezil) like ADMET properties.

1, 4-substitued piperazine derivatives, 1,3-Dioxoane derivative compounds, 1-Piperazino-2-(2, 3, 4, 9-tetrahydro-1H-9-carbazolyl)-1-ethanone, P-Substituted Sulfonyl Chloride Derivatives, 2-(2, 3, 4, 9-tetrahydro1H-9carbazolyl) Piperazine Substituted Sulfonyl Derivatives, 6, 7, 8, 9-tetrahydro-9-((2-(piperazin-1-yl)-1, 3-dioxolan-2-yl) methyl)-5H-carbazole, 2-((5, 6, 7, 8-tetrahydrocarbazol-9-yl) 1, 3-dioxolan-2-yl) substituted Sulfonyl Derivatives, 1EVE, 2BU8, Insilco ADMET Prediction, hydrogen bond, hydrophobic interactions, π–π Stacking interaction, π-alkyl stacking interactions, catalytic active site (CAS), π–sigma Stacking interaction, π-alkyl stacking interactions and alkyl stacking interactions

"COMPUTATIONAL ANALYSIS, SYNTHESIS AND CHARECTERIZATION OF NOVEL 1, 4-DISUBSTITUED PIPERAZINE DERIVATIVES", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.7, Issue 12, page no.741-752, December-2020, Available :http://www.jetir.org/papers/JETIR2012095.pdf

"COMPUTATIONAL ANALYSIS, SYNTHESIS AND CHARECTERIZATION OF NOVEL 1, 4-DISUBSTITUED PIPERAZINE DERIVATIVES", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.7, Issue 12, page no. pp741-752, December-2020, Available at : http://www.jetir.org/papers/JETIR2012095.pdf