Combinatorial Chemistry & High Throughput Screening - Volume 19, Issue 9, 2016

Aim and Objective: Anaplastic lymphoma kinase, an insulin receptor protein-tyrosine kinase, is a very attractive receptor protein target for anticancer therapy. This study was undertaken to identify novel structurally diverse anaplastic lymphoma kinase inhibitors. Material and Method: Pharmacophore hypotheses modeling, virtual screening and molecular docking were used to detect potential inhibitors of anaplastic lym Read More

Aim and objective: Overexpression of efflux pumps belonging to the Resistance Nodulation cell Division (RND) family is the most important intrinsic resistance mechanism of Pseudomonas aeruginosa. Hence, it is imperative to identify suitable efflux pump inhibitors (EPI) that can lead to increased intracellular concentration of antibiotics by blocking the pump. This study was undertaken to identify a putative plant based ef Read More

Background: The breast is an important biological system of human with two distinct states, i.e. normal and tumoral. Research on breast cancer could be based on systematic modeling to contrast the system structures of these two states. Objective: We use mutual information for the construction of the gene network of breast tissues and normal tissues. These gene networks are analyzed, compared as well as classifie Read More

A convenient procedure for the preparation of 1-(1-Propylsulfonic)-3- methylimidazolium thiocyanate as a novel Brønsted acidic ionic liquid thiocyanation agent and highly efficient heterogeneous catalytic is described. This catalyst is used in regioselective thiocyanation of indoles, anilines, pyrroles and their derivatives (aromatic and heteroaromatic organic compounds) in the presence of H2O2 as a mild and oxidan Read More

Aim and objective: Since a wide range of biological and pharmaceutical activities of barbituric acid, 4-hydroxycoumarin and their derivatives have been disclosed until now, in the domain of our interest to find newly catalytic routes for highly efficient synthesis of potentially interesting biologically active organic compounds, and extension of their areas, herein we introduce a three component combinatorial reaction bas Read More

Background: Histone deacetylase (HDAC) inhibitors can reactivate gene expression and inhibit the growth and survival of cancer cells. Objective: To identify the important pharmacophoric features and correlate 3Dchemical structure with biological activity using 3D-QSAR and Pharmacophore modeling studies. Method: The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. Pharmac Read More

Background: Camptothecin is a quinoline alkaloid, isolated from the Chinese tree Camptotheca acuminate which exhibits its cytotoxic activity by the inhibition of nuclear enzyme Topoisomerase I (topo I). Camptothecin and its analogues forms a covalent bond with DNA which can arrest the tumor growth by slowing the religation step of the enzyme and stabilize the covalent adduct between topo I and DNA. Besides its strong antica Read More

Background: Fenobam is a non-competitive mGluR5 antagonist as an anxiolytic agent. Objective: In this research a new series of fenobam analogues containing thiazole moiety instead of imidazole ring were designed and synthesized. Methods: The ureido-substituted products were synthesized from reaction of amino thiazole derivatives and isocyanate derivatives in dichloromethane solvent under microwave and ult Read More

Aim and Objective: C-Jun-N-terminal kinase -1 (JNK -1) is a seriene/threonine kinase protein and a member of mitogen activated protein family (MAP– Kinase). The activation of JNK-1 leads to cell proliferation, cell death, DNA repair and metabolism. In our study we aim in creating a novel JNK-1 inhibitor. Material and Method: Various computational techniques like 3D-atom based QSAR analysis; pharmacophore based virtual Read More