The synthesis of novel fused pyrimidines and imidazole derivatives from 2-amino-s-triazino[1,2a]benzimidazoles 2a-e and 3a-c was successfully carried out by a ring annelation reaction in a very good yield. Compound 3c was screened for analgesic activity against acetic acid irritation and has shown protection equal to the reference drug (diclofenac sodium). The acute toxicity study revealed that...

Herein we describe the introduction and application of a novel and useful descriptor, logarithm of micelle-water partition coefficients (log Pmw), for hydrophobicity of compounds. A QSAR study using log Pmw on antiplatelet activities ex vivo of 2-substituted phenyl and benzimidazolyl-5-methyl-4-(3-pyridyl)imidazoles showed its usefulness. Antiplatelet activities could be rationalized by means o...

Nitrogen is one of the most prominent hetero atoms found in heterocycles. The corresponding electron lone pairs of these nitrogen atoms are mainly responsible for properties like the basicity and the pkb-values of the investigated heterocycle. Nevertheless, the overall electronic state of a molecule is also directly related to observable physico-chemical properties. This fact underlines a possi...

An efficient synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazoles by one-step condensation of  an aldehyde, benzil, ammonium acetate and primary amine in the presence of nanocrystalline magnesium aluminate under microwave irradiation is described. The advantages of this catalyst are including simple work-up, low cost and reusability. Compared with conventional methods, the ...

We have identified a P450(cam) mutation, L244A, that mitigates the affinity for imidazole and substituted imidazoles while maintaining a high affinity for the natural substrate camphor. The P450(cam) L244A crystal structure solved in the absence of any ligand reveals that the I-helix is displaced inwards by over 1 A in response to the cavity created by the change from leucine to alanine. Furthe...

Misonidazole, after reduction to the hydroxylamine derivative, was found to react with guanosine in aqueous solution at pH 7. The guanosine product was isolated and was assigned a structure having a new 5-membered ring with a -CHOH-CHOH-linkage between the N-1 and N-2 positions of guanine. Removal of the sugar residue from the guanosine product by acid hydrolysis resulted in the corresponding g...

We demonstrated that the 3-substituted benzothiophene-1,1-dioxide class of compounds are effective inhibitors of Mycobacterium tuberculosis growth under aerobic conditions. We examined substitution at the C-3 position of the benzothiophene-1,1-dioxide series systematically to delineate structure-activity relationships influencing potency and cytotoxicity. Compounds were tested for inhibitory ac...

The multifunctional nature of proteins that have iron-heme cofactors with noncovalent histidine linkage to the protein is controlled by the heme environment. Previous studies of these active-site structures show that the primary difference is the length of the iron-proximal histidine bond, which can be controlled by the degree of H-bonding to this histidine. Great efforts to mimic these functio...

a simple highly versatile and efficient sonochemical synthesis of 1,2,4,5-tetrasubstituted and 2,4,5-trisubstituted imidazoles is achieved by condensation of 1,2-dicarbonyl compound, aldehyde, ammonium acetate and primary amine using antimony trichloride immobilized on silica gel (sio2-osbcl2) as a catalyst in ethanol at moderate temperature. operational simplicity, practicability and applicabi...