The boronated aromatic amino acids were shown to be potent hypolipidemic agents in mice lowering both serum cholesterol and triglycerides after 16 days. Selective compounds were as effective as the clinical standards. Furthermore, the compounds were effective anti-inflammatory agents reducing local and central pain as well as suppressing LPS induced endotoxic shock in mice. These agents inhibit...

Fast and accurate identification of active compounds is essential for effective use of virtual screening workflows. Here, we have compared the ligand-ranking efficiency of the linear interaction energy (LIE) method against standard docking approaches. Using a trypsin set of 1549 compounds, we performed 12,250 molecular dynamics simulations. The LIE method proved effective but did not yield resu...

One hundred and eight derivatives of mycophenolic acid (MA) have been prepared by modifications at the phenolic hydroxyl and/or carboxyl sites. None of these compounds was as effective as MA in suppressing cell growth of L-518Y cell in vitro, whereas several compounds with changes at both the hydroxyl and carboxyl groups were more effective than MA against Ehrlich solid carcinoma and L-1210 leu...

Because of expanding resistance to efficient and affordable antimalarial drugs likechloroquine, the search is continuing for more effective drugs against this disease. In-vitroantiplasmodial activity and cytotoxicity of α-(acyloxy)-α-(quinolin-4-yl) acetamides onPlasmodium falciparum and structure-activity relationships of this new class of Passeriniadducts is described. The in-vitro antiplasmo...

Because of expanding resistance to efficient and affordable antimalarial drugs likechloroquine, the search is continuing for more effective drugs against this disease. In-vitroantiplasmodial activity and cytotoxicity of α-(acyloxy)-α-(quinolin-4-yl) acetamides onPlasmodium falciparum and structure-activity relationships of this new class of Passeriniadducts is described. The in-vitro antiplasmo...

Gracilariopsis Persica (Rhodophyta) is one of the most abundant algae, introduced newly from the Indian Ocean. In this study,   the main sterols of the algae have been isolated and identified. Separation and purification of the compounds was carried out on silica gel and sephadex LH20 column chromatography (CC) and high performance liquid chromatography (HPLC) to obtain five pure compounds 1-5....

Gracilariopsis Persica (Rhodophyta) is one of the most abundant algae, introduced newly from the Indian Ocean. In this study,   the main sterols of the algae have been isolated and identified. Separation and purification of the compounds was carried out on silica gel and sephadex LH20 column chromatography (CC) and high performance liquid chromatography (HPLC) to obtain five pure compounds 1-5....

Deprotection of phosphate, phosphate, and sulfite esters by silica chloride is described. Silica chloride is a mild, selective, and effective reagent for cleavage of benzyl and t-butyl esters of the above compounds.

For the purpose of creating a database of electronic structures of all the known inorganic compounds, we have developed a computational framework based on high-throughput ab initio calculations (AFLOW) and an online repository (www.aflowlib.org). In this article, we report the first step of this task: the calculation of band structures for 7439 compounds intended for the research of scintillato...

In uropathogenic Escherichia coli, mannose-specific adhesion is mediated by the FimH adhesin located at the tip of type 1 fimbriae. Novel mannosylated N-aryl substituted 3-hydroxypyridin-4ones with meta substituents on the aryl part of the molecule were prepared, and their inhibitory properties towards the adhesion of E. coli to guinea pig erythrocytes explored using the hemagglutination assay....