Letters in Drug Design & Discovery - Volume 9, Issue 4, 2012

It has been recognised that there is no need for phosphorous acid during the conversion of 1-heteroarylacetic acids to the corresponding dronic acids, as phosphorus trichloride (PCl3) is the real reagent. We could prove that the first intermediate toward the formation Risedronic acid is 3-pyridylacetyl chloride that was prepared in different ways using inorganic halides in toluene or in methanesulfonic acid (MSA). The inter Read More

Literature reports show numerous studies concerning the occurrence, evolution, detection and removal of, generically, pharmaceutical pollutants in/from environment. The current report is focused on the Phenothiazines class, in particular on Thioridazine (Thr). We discuss the time evolution of the absorption spectra of Thioridazine HCl solutions in ultra-pure water considering the racemic mixture and the two enantiomers: Thiori Read More

In this paper we describe the preparation, characterization and antimalarial activity in vivo of novel quinoline/mercatopurine conjugates. The compounds were tested in vivo in a murine model using chloroquine as a reference compound. The values of inhibition of parasite multiplication relative to chloroquine were determined and the compound 4-(6'-mercatopurine)-7-chloroquinoline was considered statistically identical Read More

Quantitative structure-activity relationships (QSAR) of 65 different molecular series histone deacetylase inhibitors (HDACIs) with only one common pyrrole ring were studied by using comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and hologram quantitative structure-activity relationship (HQSAR). The leave-one-out cross-validation q2 values of CoMFA, CoMSIA and HQS Read More

A series of novel cis-furoquinoline derivatives was synthesized and tested for their antitumor activities in vitro against HepG2 cells, Lu-04 cells and Leu02 cells to evaluate structure-activity relationships. Assay-based antiproliferative activity study revealed that several compounds had significant effects on cytotoxicity, among which compounds 2f, 2l, 2q were found to be the most active compounds. Above all, compounds 2f, 2l, 2 Read More

A quantitative structure- activity relationship (QSAR) study has been made on a series of thiophene derivatives acting as anti-HCV agents. Significant correlations are found between anti-HCV potencies and some physicochemical parameters. The study reveals that the activity can be controlled by molecular connectivity, Hammett constant, and some indicator variables. Using the correlations obtained, some new prosp Read More

Studies have shown that natural product scopoletin has significant pharmacological activities, such as antiarthritic, spasmolytic, antitumoral, antidepressant-like, antifungal, antihyperglycemic and antioxidative. In search of new antitumor agents, twelve scopoletin derivatives were designed and synthesized by a systematic combinatorial chemical approach and their chemical structures were confirmed by MS, IR, 1H Read More

A novel series of ten N-(aryl)-2-(2-methyl-1H-imidazol-1-yl)acetamides (5a-j) were synthesized by reacting 2- methylimidazole (4) with the corresponding ω- chloroacetanilides (3a-j) in Dimethly Formamide and potassium carbonate. The compounds have been characterized on the basis of elemental analysis and spectral data. All the synthesized compounds were screened for their anticonvulsant activity. Among the comp Read More

A series of 1-alkoxy-4-(1H-1,2,4-triazol-1-yl)phthalazine derivatives were synthesized using 2,3- dihydrophthalazine-1,4-dione as starting material. The structures of the compounds were characterized by elemental analysis, IR, 1H-NMR and MS data. Anticonvulsant activities of these compounds were evaluated by maximal electroshock (MES) test following intraperitoneal injection in mice. Among the synthesized compounds 3a-3t Read More

Twenty-one 2-(N-arylsulfonylindol-3-yl)-3-aryl-1,3-thiazolidin-4-ones (4a-u) were synthesized and evaluated as HIV-1 inhibitors in vitro. Among all compounds, compounds 4n and 4p displayed the potent anti-HIV-1 activities with EC50 values of 3.48 and 8.61 μg/mL, and TI values of 34.08 and > 23.22, respectively. It demonstrated that, to a series of 2-(N-arylsulfonyl-6-methylindol-3-yl)-3-aryl-1,3-thiazolidin-4-one derivatives, intro Read More

The present work was aimed that in vitro antioxidant activity of some novel synthetic mononuclear Ruthenium (II) compounds namely, Ru (1, 10-phenanthroline)2(2-nitro Phenyl thiosemicarbazone)Cl2 (compound R1) and Ru (1, 10- phenanthroline)2(2-hydroxy-phenyl thiosemicarbazone)Cl2 (compound R2) using [2, 29-azinobis-(3-ethylbenzothiazoline- 6-sulfonic acid)] (ABTS), Ferric reducing antioxidant power (FRAP), N, N-di Read More

Drug target proteins (DTPs) are mainly distributed in several druggable families. Although proteins in one druggable family are similar in sequence and structure, not all of them are DTPs. However, the difference between DTPs and potential target proteins (PTPs) is not yet clear. We explored the topological difference between DTPs and PTPs in the human protein-protein interaction (PPI) network. Hence we found DTPs exhibite Read More

A new series of 1,2,4-triazoles containing cyclopropane moiety were synthesized and characterized by 1H NMR and elemental analyses. The biological activities results showed that most of them exhibited significant fungicidal activity towards six test fungi. Among them, several showed superiority over the commercial fungicide during the present study.

The objective of the present study is to investigate the potential of nanoemulsion formulations for transdermal delivery of indomethacin (IND). Nanoemulsions formulations with different Surfactant: co surfactant ratios (S mix); F1 - F6 (1:1, 2;2, 3:1, 4;1, 1:2 and 3:2) were prepared by the spontaneous emulsification method, and characterized for morphology, droplet size, and rheological characteristics. The ex vivo skin pe Read More