Letters in Drug Design & Discovery - Volume 9, Issue 2, 2012

The antimycobacterial activity of new 18 7-chloroquinoline derivatives, obtained from 4,7-dichloroquinoline, was evaluated against 15 Mycobacterium spp among standardized and clinical isolates using the MTT susceptibility test to obtain minimum inhibitory concentration values (MIC, μg/mL). The results suggested that 7-chloroquinoline compounds are useful leads for new anti-TB drug development. The most act Read More

Twenty-eight acyl hydrazides (1-28) are subjected for nitric oxide scavenging activities and their structureactivity relationship (SAR) is established. Compounds 1-28 showed a varying degree of activity having IC50 values in the range of 9.1 ± 6.5 - 231.1 μM. It was found that twenty-five (25) out of twenty-eight (28) compounds, showed an excellent nitric oxide scavenging activity. It was observed that the activity mainly depends o Read More

There was a major interest in the last years in the design of anticancer agents containing the 1,5-diaryl-3-oxo- 1,4-pentadienyl system. The modification of this pharmacophore by the introduction of an additional Michael acceptor represents a strategy to obtain novel potential antiproliferative agents. In a continuing study of hybrid compounds containing the α-bromoacryloyl moiety as potential anticancer drugs Read More

With a view to the rational design of a series of selected 42 substituted 1,3-diaryl propenone derivatives, quantitative structure-activity relationship (QSAR) models have been developed for the prediction of antimalarial activities against chloroquine-resistant strain of Plasmodium falciparum (W2). The statistically significant 2D-QSAR model having r2 = 0.7518 and q2 = 0.6628 with pred_r2 = 0.7189 was developed by GA-PLS Read More

A series of novel quinolinylhydrazones (5a-f) was synthesized by the condensation reaction of 2,6-diarylsubstituted piperidin-4-ones (4a-f) with 7-chloro-4-hydrazinoquinoline (2). Novel quinolinylhydrazones containing Shiff bases 8a-f and 11a-f were obtained via the condensation of Shiff bases 7a-f and 10a-f with 7-chloro-4-hydrazinoquinoline. These synthesized hydrazones were screened for their in vitro antimalarial activities t Read More

Chinese traditional medicine uses luteolin for treatment of hypertension, inflammatory diseases, and cancer. Luteolin inhibits NF-κB activity at low micromolar (μM) concentrations, and does not exhibit any cytotoxic effects up to 100 μM. In this paper, we predict and analyze the ability of luteolin to inhibit TNF-α and NF-κB pathways including TNFR1, TRADD, TRAF2, RIP1, and IKKβ. Homology models of TNF-α and NF-κB pathways, i Read More

A series of SMMC7721 inhibitors with a dehydroabietyl skeleton were synthesized from dehydroabietic acid and dehydroabietylamine, respectively. Their preliminary biological tests show promising antitumor activities against SMMC7721 cells. The molecular structural features of compounds are presented by molecular descriptors (geometrical, topological, quantum mechanical, and electronic) calculated using the Codessa softwa Read More

Present work describes the atom based 3D QSAR analysis using pharmacophore based alignment to explore the essential three dimensional structural feature requirements of study molecules for better antagonism of P2X7 receptor. The best pharmacophore model (HPRRR.13) was developed and used to align study molecules for 3D QSAR analysis. The best QSAR model (HPRRR.134) generated with PLS factor 4 sho Read More

Seven novel 3-(1-(2-(2,7a-dihydrobenzo[d]thiazol-2-ylthio)acetyl)-5-substituted-phenyl-4,5-dihydro-1Hpyrazol- 3-yl)-2H-chromen-2-one derivatives were synthesized and characterized by 1H NMR and 13 C NMR. All of the compounds have been screened for their anticancer activity. The bioassay tests show that compound 4g exhibited potentially high activity against human gastric cancer cell SGC-7901 with IC50 value of 6.99±1.1 Read More

For this study, a series of 3,6-disubstituted-1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazoles (1-12) were synthesized by condensation of 4-amino-5-substituted-3-mercapto-1,2,4-triazoles with various benzoic acids through a one-pot reaction. The anti-inflammatory and analgesic activities as well as gastrointestinal irritation liability of the obtained compounds were evaluated. Several of the synthesized compounds showed noticeab Read More

The purpose of this research was to study the effect of zeolite powder, with particles size range between 53 and 1180 μm, on the stability and release of vitamins A, D3 and E. Zeolite type, chemical and morphological features were studied using SEM and XRF. High performance liquid chromatography was used to investigate the extracted vitamins from zeolite powder. The powder emanating from natural Iranian zeolit Read More

A series of aryloxypropyl derivatives have been synthesized and evaluated for atypical antipsychotic activity in apomorphine induced mesh climbing and stereotypy assays in mice and the compounds displayed good efficacy coupled with an atypical profile. Investigation of the selected physicochemical parameters important for CNS activity suggested a good potential for CNS activity. All compounds showed excellent co Read More