Letters in Drug Design & Discovery - Volume 12, Issue 9, 2015

The C-X-C chemokine receptor (CXCR)3 and its chemokines (CXCL9, CXCL10, CXCL11) are involved in the pathogenesis of autoimmune disesases. Under the influence of interferon( IFN)γ, the IFNγ-inducible chemokines are secreted by lymphocytes, and by target cells (fibroblasts, epithelial cells, etc). In target tissues, Th1 lymphocytes are recruited; hence IFNγ is enhanced, which stimulates IFNγ-inducible chemokines (CXCL9 Read More

This work reports the docking studies of compounds designed from the combination of substructures of three types of antihypertensives: angiotensin converting- enzyme (ACE) inhibitors, calcium channel blockers and renin inhibitors. Consequently, multi-target compounds are expected to be obtained. Indeed, a few purposes showed both docking scores and intermolecular ligand-enzyme interaction towards all Read More

HDAC8-selective inhibitors not only explore the biological functions of HDAC8 but also proved to be immensely significant anticancer agents with few side effects. Of the several classifications, hydroxamic acid-based HDAC inhibitors proved that they produce therapeutic potential against cutaneous T-cell lymphomas (CTCL). By considering the skeleton of the hydrophobic pocket of HDAC8 and its catalytic site, about 52 chir Read More

Plasmodium falciparum glucose-6-phosphate dehydrogenase (PfG6PD) has been taken as a promising target for developing anti-malarial drugs. In this work, four quantitative models were generated to predict the bioactivity of 262 Pf G6PD inhibitors. Each molecule was represented by ADRIANA. Code descriptors. The whole dataset was divided into a training set and a test set randomly or by a Kohonen’s self-organizing Read More

Cancer remains a critical study since long period. Inspite of remarkable development in science, still suitable cure and treatment is not available. In humans, Hypoxia-inducible factor-1 (HIF-1) is available in good amount in tumors and is associated in various mechanisms such as metabolism of anaerobic energy, angiogenesis, drug resistance, cell subsistence and incursion etc. Hence, for the treatment of cancer, HIF-1 inhibition Read More

Previous studies demonstrated that some pyrazole derivatives could be considered as potential anticancer agents. A series of 1,3,5-triaryl-1H-pyrazole derivatives were prepared by the reaction of phenylhydrazin and different chalcones. The previous classic synthesis method was developed for a simpler procedure. The cytotoxicity of these compounds was determined against three cancer cell lines (HT-29), (MCF-7 Read More

The inhibition property of numerous carbazole derivatives for topoisomerase enzyme was checked by molecular docking which were designed by ChemDraw software followed by 3D optimization. Two series i.e. 2-[(4, 5-dihydro-2-substitutedphenyl)imidazol-1-ylamino]-1-(9H-carbazol-9-yl)ethanone (3a-3e) and 2-(9H-carbazol-9-yl)-N'-{[(4-substitutedphenyl) (piperazin-1-yl)]methyl}acetohydrazide (6a-6e) were found to b Read More

The aim of this paper was to present the etiological factors responsible for temporomandibular joint dysfunction associated with psychoemotional disorders and possible drug therapy. Etiology of this disorder is multifactorial. The term “stress” was explained, together with its influence on the human body and its long-term effects. We emphasized the significance of factors that affect individual reaction to stress and patients’ p Read More

A series of oxime carbamates derivatives were designed and synthesized as a part of our ongoing search for novel high potential agrochemicals. Their structures were confirmed by 1H NMR, 13C NMR and elemental analysis. The bioassays results indicated that some of the obtained compounds exhibited good insecticidal activity against Heliothis armigera and Plutella xylostella.

High-throughput screening (HTS) has achieved widespread popularity over the last two to three decades in drug discovery. Characterized by its simplicity, rapidness, low cost, and high efficiency, HTS can minimize the time span of drug discovery noticeably. Robotic technologies and analytic technologies are two central components of HTS, and significant progress of the technologies has been reported recently. In addition, m Read More