RATIONAL DESIGN, SYNTHESIS AND COMPUTATIONAL STRUCTUREACTIVITY RELATIONSHIP OF NOVEL 3-(4-CHLOROPHENYL)-5-(3-HYDROXY-4-ETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE

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SINGH Y.P.; TOMAR A.; DAS R.; ASHRAY SINGH R.

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Journal Paper

Paper Information

Journal: IRANIAN JOURNAL OF BIOTECHNOLOGY Year:2009 | Volume:7 | Issue:3 Page(s): 166-178

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Title

RATIONAL DESIGN, SYNTHESIS AND COMPUTATIONAL STRUCTUREACTIVITY RELATIONSHIP OF NOVEL 3-(4-CHLOROPHENYL)-5-(3-HYDROXY-4-ETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE

Author(s)

SINGH Y.P. | TOMAR A. | DAS R. | ASHRAY SINGH R. | Issue Writer Certificate

Keywords

PYRAZOLE CARBOXAMIDE

CADD

RULE OF 5

ADMET

TOXICITY

PHYSIOCHEMICAL PROPERTIES

Abstract

Densely functionalized 3-(4-chlorophenyl)-5-(3- hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1- carboxamide was synthesized in an expedient manner through specification and transamidation respectively, of ester-functionalized pyrazoles. This synthetic protocol allowed for three diversifying steps in which appendages on the pyrazole scaffold were adjusted to optimize inhibition of protein kinases. Computational design and study of novel 3-(4-chlorophenyl)-5- (3hydroxy-4-etoxyphenyl)-4,5-dihydro-1H-pyrazole-1- carboxamide is reported. This computational prediction analysis will improve the understanding of candidate drugs and help in identifying its properties and effects on the human body. Simulation analysis of candidate drugs is necessary for providing clues about regulatory mechanisms, biochemical pathways and broader drug functions.

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APA: Copy

SINGH, Y.P., TOMAR, A., DAS, R., & ASHRAY SINGH, R.. (2009). RATIONAL DESIGN, SYNTHESIS AND COMPUTATIONAL STRUCTUREACTIVITY RELATIONSHIP OF NOVEL 3-(4-CHLOROPHENYL)-5-(3-HYDROXY-4-ETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE. IRANIAN JOURNAL OF BIOTECHNOLOGY, 7(3), 166-178. SID. https://sid.ir/paper/563670/en

Vancouver: Copy

SINGH Y.P., TOMAR A., DAS R., ASHRAY SINGH R.. RATIONAL DESIGN, SYNTHESIS AND COMPUTATIONAL STRUCTUREACTIVITY RELATIONSHIP OF NOVEL 3-(4-CHLOROPHENYL)-5-(3-HYDROXY-4-ETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE. IRANIAN JOURNAL OF BIOTECHNOLOGY[Internet]. 2009;7(3):166-178. Available from: https://sid.ir/paper/563670/en

IEEE: Copy

Y.P. SINGH, A. TOMAR, R. DAS, and R. ASHRAY SINGH, “RATIONAL DESIGN, SYNTHESIS AND COMPUTATIONAL STRUCTUREACTIVITY RELATIONSHIP OF NOVEL 3-(4-CHLOROPHENYL)-5-(3-HYDROXY-4-ETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE,” IRANIAN JOURNAL OF BIOTECHNOLOGY, vol. 7, no. 3, pp. 166–178, 2009, [Online]. Available: https://sid.ir/paper/563670/en

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