In silico QSAR modeling suggests that dichloroanilino imidazoline derivatives have predicted anti-hypertensive activity comparable to clonidine.
The main goal is to identify suitable to their Anti-hypertensive activity with reference (Clonidine Standard drug). Pubchem webserver, Chemsketch, Padel descriptor, Protein data bank (PDB), Autodocktools, E-dragon webserver. To generate the Scaffold molecule. To calculate different parameters of test sample with its biological activity. To fit the final series of compound with particular target. To predict ADMET of final series of compound. After substitution R 1 & R 2 of test sample we have found that the value of different descriptors of QSARs is nearby equal to standard drug of clonidine. All the descriptors are (QSARs parameters) of Scaffold molecule H 1 was satisfactorily explained (R 2 = Approximately 0.99) with the graphical plot of Hansch analysis.
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Hoque et al. (2018) studied this question.
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