Letters in Drug Design & Discovery - Volume 12, Issue 4, 2015

The synthesis of risedronic acid and alendronate from 3-pyridylacetic acid and γ- aminobutyric acid, respectively, using phosphorus oxychloride and phosphorous acid as the P-reagents and methanesulfonic acid as the solvent was optimized, and the role of phosphorus oxychloride and phosphorous acid in the reaction was clarified.

The design, pharmacological properties and delivery characteristics in gastric and intestinal fluids of N-alkanoyl-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-ethanamines, (I) and (II), are described. The biological activity of compounds (I) and (II) was determined in a specific model of melatonin action, the pigment aggregation response of Xenopus laevis melanophores. Both analogues were found to be powerful melatonin recept Read More

A group of 4H-1,2,4-triazole-derived thioureas was efficiently prepared and evaluated for antibacterial, antifungal and antiviral activities.The chemical identity of all derivatives was established on the basis of spectral methods. The molecular structures of 10 and 21 were determined by an X-ray crystallography. Compounds with phenyl (1), 3,4-dichlorophenyl (2) and p-methoxyphenyl (3) substituents were the most promising Read More

A series of tylophora alkaloids and their derivatives (1–38) were synthesized and systematically bioassayed for their anti-HIV activity for the first time. The results revealed that most of these alkaloids possess good HIV inhibitory effect. Especially, compounds 1, 4 and 25 displayed low nanomolar levels of anti-HIV activity (inhibitory effect at 50 nM: 1: 71%; 4: 60%; 25: 64%), which is about similar to that of the first HIV in Read More

Dipeptidyl Peptidase-IV (DPP-IV), an intracellular enzyme, plays a vital role in the management of diabetes mellitus via promoting secretion of insulin. Inhibitor of DPP-IV significantly improves the blood glucose and glycated hemoglobin A1c levels along with reducing adverse effects associated with current therapies. Extensive literature survey of DPP-IV inhibitors indicated that proline mimic pyrrolidine scaffold, demo Read More

Structure based High-throughput Virtual Screening (HTVS) of ChikV nsP2 protease (PDB: 3TRK) with two publicly available database ZINC12 and BindingDB has been carried out to identify suitable inhibitors for the treatment of chikungunya infection. HTVS protocol implemented in GLIDE 5.0 (Schrodinger LLC) has been employed to screen the drug-like subset of ZINC12 (10,090,210) and protease inhibitors in BindingDB (83,00 Read More

By means of a combined computational protocol involving hybrid ligand/receptor-based virtual screening, molecular dynamics simulations and per-residue energy contribution, two compounds were suggested as possible potential TB inhibitors. Using docking calculations, which were validated by molecular dynamics simulations, binding free energy calculations indicated that the suggested compounds showed better binding affinit Read More

In order to investigate the biological activity of novel thiourea compounds, some novel 1,2,3- thiadiazole derivatives containing 1,3,4-thiadiazole were synthesized under phase transfer catalyzed condition( PEG-600)by multi-step reactions. The chemical structures of all compounds were established by 1H NMR, FTIR, MS, and elemental analysis, and some of these compounds were investigated for fungicidal activity and pl Read More

Curcumin (β-diketones diferuloylmethane), a biphenolic compound of Curcuma longa is reported to elicit a plethora of health protective effects. The present study was carried out to investigate the in vivo protective effect of curcumin (340 mg/kg b.w., oral) against HgCl2 induced oxidative stress in wistar rats. PON1 arylesterase activity, -SH value, and LDL oxidation susceptibility were determined in plasma of control, control+ cur Read More

The emergence and rapid spread of Multi Drug Resistant (MDR) infectious microbial flora embracing a variety of bacterial, fungal as well as mycobacterium strains are causing a threat to public health worldwide. To cure this dilemma, a library of two series of coumarin based Schiff bases (4a-j) and thiourea derivatives (6a-j) was rationalized, synthesized and accessed for their in vitro antibacterial activity (against Staphyloc Read More