Letters in Drug Design & Discovery - Volume 11, Issue 2, 2014

1-Aroyl-3,5-dimethyl-1H-pyrazole derivatives (7-12) were synthesized from some hydrazides (1-6) with acetylacetone (2,4-pentanedione) by microwave irradiation. Their structures were elucidated by FT-IR and 1H-NMR spectral data and elemental analysis. Compound activities were evaluated against HCV NS5B and in cell based HCV reporters. Compound 8 was the most promising of this series in inhibiting intracellula Read More

Novel simplified Aspirin derivatives were developed, characterized by using IR, 1H NMR, 11C NMR and elemental analysis techniques and evaluated for anticancer activity in human cell lines. The results revealed that most of the compounds exhibited inhibitory effects of growth of cancer cell lines in vitro against T-acute lymphoblastic leukemia cell lines Molt-4, chronic myclogenous leukemia cell lines K-562, acute myelocytic le Read More

Cancer and malaria are two major diseases, which have devastating effects on public health systems. In a quest of developing new anticancer and antimalarial agents, a series of 22 unsymmetrical C5-curcumionds was synthesized and evaluated for their anticancer activity against HeLa, KB, PC3 and DU145 cancer cell lines. Out of these, four compounds displayed potent activity in HeLa cancer cell line (IC50 ranging from 0.7 Read More

Divalent ligand provides a special approach for designing bioactive molecules. Aiming at searching for novel insecticidal divalent neonicotinoid insecticides, bis-phenylazoneonicotinoids were designed and synthesized here using nitromethylene analogue of imidacloprid, diazo unit and benzene system as pharmacophore, linker and spacer, respectively. The designed divalent compounds exhibited moderate insecticidal a Read More

In the effort of finding novel acetyl cholinesterase (AChE) inhibitors to improve the efficacy of Alzheimer’s disease (AD) treatment, series of substituted aryl-1´-methyldispiro[indan-2,2´ pyrrolidine-3´,2”-indan]-1,3,1”-trione and substituted 7´-aryl-5´,6´,7´,7a´-tetrahydrodispiro-[indane-2,5´-pyrrolo[1,2-c][1,3]thiazole-6´,2”-indan]-1,3,1”-trione analogues were synthesized using [3+2]-cycloaddition reactions. These newly syn Read More

The objectives of this study were to gain insights into the structure-retention and structure-lipophilicity relationships of series of twenty antidepressants and to propose model for estimating their retention and lipophilicity. The lipophilicity of antidepressants has been determined by reversed-phase thin-layer chromatography using binary methanol– water mobile phases. The chemical structures of the antidepressant Read More

Creation of effective antidepressant drugs is the key problem of the modern neuropharmacology. Here, the effect of acute administration of a new potential psychotropic drug, 8-(trifluoromethyl)-1,2,3,4,5-benzopentathiepin-6- amine hydrochloride (TC-2153) (10 and 20 mg/kg), on depressive-like behavior in the forced swim test (FST), anxietylike behavior and locomotion in the open field (OFT) and in the elevated plus-maze (P Read More

Formulation of controlled release acyclovir loaded chitosan nanoparticles was optimized based on the optimization technique using response surface method (RSM) and artificial neural network (ANN) simultaneously to develop a model to identify relationships between variables affecting drug nanoparticles. In this research, the goal was to create a representation of three irregular factors, i.e. concentration of acyclovir, co Read More

Development of potent, selective and orally bioactive dipeptidyl Peptidase IV inhibitors as antihyperglycemic agents is challenging task due to potential side effects are associated with them. It may result from other prolyldipeptidases of DPP-4 include DPP-2, DPP-8 and DPP-9. To resolve the selectivity issue in different DPP enzymes hologram quantitative structure-activity relationship studies were carried out on a series of pot Read More

CuI facilitated the intramolecular cyclization of 8-alkynyl substituted 2,3-dihydroquinolin-4(1H)-ones leading to 5-subtituted 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ones via intramolecular C-N bond forming reaction. Some of the synthesized compounds have shown encouraging inhibition of Sir 2 protein (a yeast homolog of mammalian SIRT1) when tested using a yeast cell based assay. A representative compoun Read More

The carboxamide derivatives of Febuxostat were synthesized via the reaction of Febuxostat with various amines through by Schotten-Baumann reaction. All the synthesized compounds have been evaluated for their in vitro Xanthine Oxidase inhibitory activity. The present study reveals that most of carboxamides were acting as better XO inhibitors and play an important role in decreasing uricacid levels. Almost all the compo Read More

In different RNA viruses, the nucleocapsid protein N (N protein) plays an important functional role by enwrapping the viral genomic RNA in an RNase-resistant form. Targeting this essential protein is one of the best methods to find novel Chandipura virus (CHPV) inhibitors. The model of N protein of CHPV showed that this protein bears an alpha helical type topology. Computational characterization of N protein of CHPV exhi Read More

Condensation of ketones 1a-b with deferent aldehydes 2a-e gives chalcones 3a-j. These chalcones on cyclization with hydrazine hydrate/ phenylhydrazine in the presence of glacial acetic acid give the corresponding pyrazolines 4a-t. The structures of new compounds have been established by extensive IR, NMR and X-ray crystallographic studies and were assayed for their antitubercular activity against M. tubercu Read More

In soybean, a small hormone like peptide, leginsulin was found to bind Basic 7S Globulin (Bg7S) and stimulate its tyrosine kinase activity. The NMR-structure of leginsulin, along with crystal structure of Bg7S, was used to create a rigid docking model, followed by flexible refinement of the interaction complex. This study provides structural insights into the binding of leginsulin to Bg7S. The complex is stabilized predominantl Read More

Alzheimer’s disease is a brain disease that slowly destroys memory and thinking skills, and eventually, the ability to carry out the simplest tasks. It begins slowly and gets worse over time. The main risk factor for Alzheimerμs disease is increased age. As a population ages, the frequency of Alzheimer's disease continues to increase. Currently, there is no cure. There are many compromises in the brain of an Alzheimer's patie Read More