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Synthesis, molecular docking and biological potentials of new 2-(4-(2-chloroacetyl) piperazin-1-yl)-N-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)acetamide derivatives.

ABSTRACT: In the present study, a series of 2-(4-(2-chloroacetyl)piperazin-1-yl)-N-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)acetamide derivatives was synthesized and its chemical structures were confirmed by physicochemical and spectral characteristics. The synthesized compounds were evaluated for their in vitro antimicrobial (tube dilution technique) and anticancer (MTT assay) activities along with molecular docking study by Schrodinger 2018-1, maestro v11.5. The antimicrobial results indicated that compounds 3, 8, 11 and 12 displayed the significant antimicrobial activity and comparable to the standards drugs (ciprofloxacin and fluconazole). The anticancer activity results indicated that compound 5 have good anticancer activity among the synthesized compounds but lower active than the standard drugs (5-fluorouracil and tomudex). Molecular docking study demonstrated that compounds 5 and 7 displayed the good docking score with better anticancer potency within the binding pocket and these compounds may be used as a lead for rational drug designing for the anticancer molecules.

SUBMITTER: Mehta S 

PROVIDER: S-EPMC6727350 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Synthesis, molecular docking and biological potentials of new 2-(4-(2-chloroacetyl) piperazin-1-yl)-<i>N</i>-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4<i>H</i>)-yl)acetamide derivatives.

Mehta Shinky S   Kumar Sanjiv S   Marwaha Rakesh Kumar RK   Narasimhan Balasubramanian B   Ramasamy Kalavathy K   Lim Siong Meng SM   Shah Syed Adnan Ali SAA   Mani Vasudevan V  

BMC chemistry 20190905 1

In the present study, a series of 2-(4-(2-chloroacetyl)piperazin-1-yl)-<i>N</i>-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4<i>H</i>)-yl)acetamide derivatives was synthesized and its chemical structures were confirmed by physicochemical and spectral characteristics. The synthesized compounds were evaluated for their in vitro antimicrobial (tube dilution technique) and anticancer (MTT assay) activities along with molecular docking study by Schrodinger 2018-1, maestro <i>v11.5</i>. The antimicrobial re  ...[more]

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