Letters in Drug Design & Discovery - Volume 8, Issue 3, 2011

The article describes the pharmacological examinations of clathrates of warfarin (WF) with glycyrrhizic acid (GA) and arabinogalactan (AG). A direct connection between the clathrate structure and the pharmacons anticoagulative properties was observed. A 20 mg/kg (WF 2 mg/kg) dose of WF: GA 1:10 clathrate causes the increase in prothrombin time (PT) only in 54 hours, after 3 administrations. In contrast, a 20 mg/kg (WF 2 Read More

Receptor tyrosine kinases (RTKs) are crucial targets in the pathway of angiogenesis and the currently used antiangiogenic drugs have limited efficiency with associated toxicity. In our continuous search for new and potent multitarget anti-angiogenic lead compounds, we have conducted in-silico interaction and inhibition studies of the selected aglycones of steroidal glycoalkaloids (GAs) and selected anti-angiogenic drugs, ag Read More

Our previous kinetics studies demonstrate that the natural product galangin exhibits a high-affinity inhibition of 153 nM towards human cytochrome P450 1A2. However, much less is known about the inhibitory mechanism of galangin against 1A2. To better understand the inhibitory mechanism of galangin towards 1A2, a modeling study including molecular docking and molecular dynamics simulations was performed. The binding p Read More

Designing kinase inhibitors is always an area of interest because kinases are involved in many diseases. In the last one decade a large number of kinase inhibitors have been launched successfully; six inhibitors have been approved by FDA and more are under clinical trials. Cross-reactivity or off-target is one of the major problems in designing inhibitors against protein kinases; as human, have more than 500 kinases with high Read More

The pyrrolopyrimidine derivatives have been regarded as a novel class of LIM-kinase 2 inhibitor. To explore the relationship between the structures of substituted pyrrolopyrimidine derivatives and their inhibitory activities against LIMK2, CoMFA and CoMSIA analyses, and molecular docking studies were performed on a dataset of forty-one compounds. The two 3D-QSAR models resulted from thirty-one molecules in the traini Read More

We report the initial results of our study into a series of thiosemicarbazone-based compounds as potential inhibitors of estrone sulfatase (ES). The results show the compounds to be weak inhibitors of ES in comparison to the standard estrone-3-O-sulfamate used within the study and which possessed 98 inhibition under similar conditions.

Schizophrenia is a disorder of abnormal neurodevelopment, with minor physical anomalies, neurological soft signs, and abnormalities of brain structure and functions. It is estimated that one percent of the worlds population is suffering from this disease. Extensive data recommend that genetic abnormalities of dopamine function are well-known features of schizophrenia that may play a unique role for catechol-O-methyl Read More

In an effort to aid the design of dual-inhibitors of types 1 and 3 of the 17β-hydroxysteroid dehydrogenase (17β-HSD), we report the synthesis, biochemical evaluation and rationalisation of the inhibitory activity of trifluoromethanesulfonate derivatives of 4-hydroxyphenyl ketone-based compounds which were found to be weak inhibitors of types 1 and 3.

In the present study, the ameliorative effect of a bischalcone (2E,5E)-2,5-bis(3-methoxy-4-hydroxy- benzylidene) cyclopentanone (CA), a curcumin analog was studied on Drosophila melanogaster (oregon K strain) in vivo by inducing oxidative stress using paraquat. Curcumin (CU) was taken as standard for studies. In negative geotaxis assay it was found that CA was able to rescue the flies significantly from deteriorating locomot Read More

A novel class of compounds with structure Aryl propyl acridone-4-carboxamides were synthesized by conventional and microwave (MW) irradiation methods and evaluated for their inhibitory effects on the transport activity of P- glycoprotein (P-gp) by standard Hoechst 33342 assay method. The title compounds with phenoxy substitution exhibited better activity.

Different imidazole derivatives were prepared by utilizing the intermediate 2-(2,4,5-triphenyl-1H-imidazol-1- yl)acetohydrazide (3) using microwave irradiation method besides the traditional ones. They were used for synthesis of some new derivatives of 2,5-disubstituted-1,3,4-oxadiazole, pyrazole, 2,5-dimethylpyrrole and nitrogen containing five membered rings. All the synthesized compounds were characterized by IR, 1 Read More

Gallic acid (3,4,5-trihydroxybenzoic acid) a plant phenolic antioxidant is known for its strong antiinflammatory, anti-mutagenic and anti-carcinogenic activities. But due to a lower half-life and rapid clearance by the body, frequent administration of the molecule is required. To improve the bioavailability and prolong its duration in the body system, its phospholipid complex was prepared and evaluated for various physico-che Read More

As per Bentham Science’s policy, the following article has been retracted at the request of the Editor-in-Chief and Authors of the journal Letters in Drug Design & Discovery (LDDD). Title “Solubilization and Amorphization of Non Steroidal Anti-Inflammatory Drug with Low Molecular Weight Chitosan for a New Guar-Based Colon Delivery Formulation; Letters in Drug Design & Discovery, vol. 8(3); pp. 292-301.” Authors Kadria A Read More