Letters in Drug Design & Discovery - Volume 11, Issue 5, 2014

Gram-positive bacteria are the most common cause of skin infection in hospitalized patients, with Staphylococcus aureus being the principal pathogen responsible for deaths. A series of poly-oxygenated chalcones was synthesized and assayed for anti-staphylococcal activity. Hydroxylated chalcones were more effective in the inhibition of microbial growth than methoxylated analogues. The compound 3’,5’,4-trihydroxychalc Read More

5-Nitroimidazoles are drugs having both antiprotozoal and antibacterial activity, but show mutagenicity and development of resistance particularly with metronidazole. For the development of new potentially safer derivatives, we investigated new strategies of synthesis: such as Vicarious Nucleophilic Substitution of hydrogen (VNS), palladiumcatalyzed cross-coupling reactions (Suzuki-Miyaura, Sonogashira…) and electron t Read More

In an attempt to control multidrug resistant dilemma, a library of quinazolinone based on two novel series was rationalized and synthesized with simple and efficient etiquette. A number of compounds encompass ethyl thioureidic backbone, structurally related to PETT (Phenyl Ethyl Thiazolyl Thiourea) congeners. All the final synthesized compounds were characterized by IR, 1H NMR, 13C NMR, mass and elemental analysis. Th Read More

A series of novel 4-bromo-2-(3-methyl-1-(substituted-phenylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl) phenol derivatives were synthesized and characterized by NMR, ESI-MS. Compound 3c was determined by X-ray. Biological activity tests results show that compound 3h displayed activity with MIC of 0.39, 0.78, 1.562 μg/mL against B. subtilis ATCC 6633, S. aureus ATCC 6538, P. fluorescens ATCC 13525 and could strongly in Read More

The synthesis of 2-[3/4-(2-substituted phenyl-2-oxoethoxy)benzylidene]-6-substituted-2,3-dihydro-1H-inden-1- one derivatives and the investigation of their anticancer activity were studied. 2-(3- or 4-Hydroxybenzylidene)-6- substituted-2,3-dihydro-1H-inden-1-ones were reacted with suitable 2-bromoacetophenones to give 2-[3/4-(2-substituted phenyl-2-oxoethoxy)benzylidene]-6-substituted-2,3-dihydro-1H-inden-1-one derivativ Read More

The α-Mangostin and -Mangostin were mainly isolated from Garcinia Mangostana L. as representative Xanthone's natural products of plant origin, revealed high activity of antitumor, antioxidation and other diverse pharmacological activities. A series of α, γ-Mangostin derivatives LT-1~17 has been synthesized, and confirmed by 1H NMR, 13C NMR, MS(supplement file). Compounds LT-2~17, as novel Xanthone, have been report Read More

The spiro analogues of benzothiazolylchromenopyranopyridine, benzothiazolyl- chromenoquinoline, benzothiazolylpyranoquinoline, benzothiazolylchromenopyridopyrimidine and benzothiazolylpyranopyridopyrimidine have been synthesized by an efficient domino reaction using sulfamic acid as catalyst in aqueous medium and screened for their cytotoxic activity against tumor cell lines, namely human cancer cell Read More

The different substituted polyphosphazene-linked azo prodrug of Methotrexate (9-12) and chitosan-linked azo prodrug of methotrexate (13) were synthesized and characterized by modern analytical techniques such as IR, 1H NMR, 31P NMR and GPC. The in-vitro stability study showed that all polymeric drug conjugates are stable in upper GIT (pH = 1.2) and small intestine (pH = 7.4). In-vitro drug release showed that polyphosp Read More

Studies of the neuroprotective activity of a series of monoterpene-derived compounds on the MPTP mice model showed that 4-[(3aR,7aS)-1,3,3a,4,5,7a-hexahydro-3,3,6-trimethylisobenzofuran-1-yl]-2-methoxyphenol 15 possessed a considerable neuroprotective activity. Compound 15 was synthesized by one-stage reaction of (+)-2-carene with vanillin. It has low acute toxicity and significantly decreased t Read More

Herein, we present a validated predictive QSAR model to provide more insight into the relationship between the molecular properties of diketo acid and carboxamide derivatives as well as HIV-I integrase inhibition. A set of 40 diketo acid and carboxamide derivatives possessing integrase inhibitory activity was subjected to 2D-QSAR using Discovery studio V3.5. The QSAR results presented here were based on a genetic fun Read More

A series of 4-butyl-5-(4-alkoxyphenyl)-2H-1,2,4-triazole-3(4H)-ones (6a-6u) was designed and synthesized. The anticonvulsant effects and neurotoxicity of the compounds were evaluated with maximal electroshock test and rotarod test. Among the synthetic compounds, 4-butyl-5-(4-(2-fluorinebenzyl)phenyl)-2H-1,2,4-triazole-3 (4H)-one (6k) was the most potent with ED50 value of 27.4 mg/kg and protective index (PI = T Read More

The important aim of this research was to develop an appropriate model to predict relationships between three casual factors on the responses based on an artificial neural network (ANN). As model formulation, 28 types of gels were prepared. The weight ratio of GMO/water (w/w) and PEG 300/GMO (w/w), percentage of Olanzapine (OZ) were selected as input data. Entrapment efficacy, maximum percentage of release, par Read More

Dopamine is an abundant neurotransmitter in the brain, and acts as a regulator of many physiological functions in the central nervous system, such as motor activity, cognition, and positive reinforcement, and in the periphery, as a modulator of cardiovascular function, among others. Dopamine receptors belong to a superfamily of G protein-coupled receptors, and to date five sequences in the human body have been reported wi Read More

The DFT-B3LYP method, with the basis set 6-31G (d, p), was employed to calculate some quantum chemical descriptors of 33 biphenyl imidazole derivatives as bombesin receptor subtype-3 agonists. The descriptors were then employed to establish a quantitative structure activity relationship (QSAR) using combination of principal component analysis (PCA) and radial basis function neural network (RBF). The statistical results in Read More

In this study, combination-principle was reported to improve the hepatoprotective activity of andrographolide. Ten andrographolide derivatives were synthesized and evaluated for in vivo hepatoprotective activity in CCl4-induced liver injury mice. The pharmacological results revealed that 6 derivatives exhibited significant hepatoprotective activity. The most promising compound 6b significantly improved liver enzymes (ALT a Read More

Pyrazole scaffold containing compounds have been found to be as enzyme activator or inhibitor in the diabetic disease condition. The pyrazole containing compounds have been found to be activators in case such as glucokinase and as inhibitors in cases such as sodium glucose co-transporter-1, sodium-glucose co-transporter-2, dipeptidyl peptidase-4, glycogen synthase kinase-3beta, Glucagon-stimulated intracellul Read More