Human histamine H1 receptor (HHR1) is one of the receptors through which histamine exerts its allergic reactions, and

inhibition of this receptor is an important strategy in treatment of inflammatory diseases. In this study, classical and 3D quantitative structureactivity relationship (QSAR) studies were carried out using 36 inverse agonists of which 27 diverse compounds were used in training set

3D QSAR method is a broad category including all those QSAR methods that correlate the biological activity with non-covalent interaction fields surrounding the compounds and computed atom-based descriptors calculated from the spatial representation of the molecular structures systematic classical and 3D QSAR studies were carried out in order to identify the essential structural features and physicochemical properties that correlate the inverse agonistic properties of the ligand molecules In our QSAR studies, a set of diverse compounds with alkylaminoimidazoles, alkylaminopyridines, thiazoles and various other alkylamines were utilised to generate classical and 3DQSARmodels. A set of 36 diverse chemical compounds with a wide range of experimentally known inverse agonistic activities for HHR1 were used in this study. Classical and 3D QSAR approaches were employed to observe the SAR within the selected set of HHR1 inverse agonists.

r 2 = koefisien korelasi (kualitas relatif) r2 = s = standar deviasi (kualitas absolut) s2 = F = Fisher Value

1 - 2/Syy

2/(n - k - 1)

F = r2.(n - k - 1)/(k.(1 - r2))