TY - JOUR ID - 7067 TI - Rational Design, Synthesis and Computational Structure-Activity Relationship of Novel 3-(4-Chlorophenyl)-5-(3-Hydroxy-4-Ethoxyphenyl)-4,5-Dihydro-1H-Pyrazole-1-Carboxamide JO - Iranian Journal of Biotechnology JA - IJB LA - en SN - 1728-3043 AU - Singh, Yogendra AU - Tomar, Arvind AU - Das, Ratnesh AU - Singh, Ram AD - Department of Physics, Govt. Women’s Polytechnic College, Sagar (MP), INDIA, 470001 AD - Department of Physics, S.V. Polytechnic College, Bhopal (MP), INDIA, 470001 AD - Department of Chemistry, Dr. H.S. Gour Central University, Sagar (MP), India, 470001 AD - Department of Physics, Dr. H.S. Gour Central University, Sagar (MP), India, 470001 Y1 - 2009 PY - 2009 VL - 7 IS - 3 SP - 166 EP - 178 KW - Pyrazole carboxamide KW - CADD KW - Rule of 5 KW - ADMET KW - Toxicity KW - Physiochemical properties DO - N2 - 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. UR - https://www.ijbiotech.com/article_7067.html L1 - https://www.ijbiotech.com/article_7067_bac4edcc31203319665e5c171e87fd15.pdf ER -