Synthesis, anticancer, molecular docking and QSAR studies of benzoylhydrazone

To find out effective anticancer compounds we synthesized (1–30) derivatives of 4-isopropylbenzoylhydrazone and evaluated for anticancer potential. The compounds 3, 9, 12, 23, 26 and 28 showed better activities ranging (0.39–1.1 µg/ml) than the standard (1.53 ± 0.01 µg/ml). In line with this, compou...

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Published in:Journal of Saudi Chemical Society 2019-12, Vol.23 (8), p.1168-1179
Main Authors: Taha, Muhammad, Sultan, Sadia, Herizal, Muhammad, Fatmi, M. Qaiser, Selvaraj, Manikandan, Ramasamy, Kalavathy, Halim, Sobia Ahsan, Lim, Siong Meng, Rahim, Fazal, Ashraf, Kamran, Shehzad, Adeeb
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Language:English
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4-Isopropylbenzohydrazones
Anticancer
Molecular docking
QSAR studies
Synthesis
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cited_by cdi_FETCH-LOGICAL-c410t-c9e33655c82a33365a9ab6fcc2edb274b186f5f181c8c9eae2762c7f5fb7cdd83
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container_issue 8
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container_title Journal of Saudi Chemical Society
container_volume 23
creator Taha, Muhammad
Sultan, Sadia
Herizal, Muhammad
Fatmi, M. Qaiser
Selvaraj, Manikandan
Ramasamy, Kalavathy
Halim, Sobia Ahsan
Lim, Siong Meng
Rahim, Fazal
Ashraf, Kamran
Shehzad, Adeeb
description To find out effective anticancer compounds we synthesized (1–30) derivatives of 4-isopropylbenzoylhydrazone and evaluated for anticancer potential. The compounds 3, 9, 12, 23, 26 and 28 showed better activities ranging (0.39–1.1 µg/ml) than the standard (1.53 ± 0.01 µg/ml). In line with this, compounds 2, 6, 24, 25 and 29 exhibited better activities compared to the second standard (5FU 4.60 ± 0.01 µg/ml). The best molecular docked complex between the BRCA1 structure and the 1–30 derivatives were analyzed based on the Glide docked score and binding orientation for both the SP and XP mode. The 2D-QSAR analysis reflected a significant correlation between the experimental and the predicted biological activities. The above-mentioned compounds were also assessed by various spectroscopic techniques.
doi_str_mv 10.1016/j.jscs.2019.07.007
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subjects 4-Isopropylbenzohydrazones
Anticancer
Molecular docking
QSAR studies
Synthesis
title Synthesis, anticancer, molecular docking and QSAR studies of benzoylhydrazone
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