Combinatorial Chemistry & High Throughput Screening - Volume 8, Issue 5, 2005

In the present era, acquired immunodeficiency syndrome (AIDS) is the most fatal disorder for which no completely successful chemotherapy could be developed so far. The causative agent of AIDS has been identified as a retrovirus of type-1 (HIV-1). Therefore, a great attention has been focused in the recent years on the design and development of anti-HIV drugs. The last five years has seen an explosion in the exploratio Read More

Combinatorial chemistry has been well recognized as an important tool of drug discovery. An ongoing hand is to integrate the combinatorial approach with fundamentals of medicinal chemistry and rational drug design. The last five years has seen an explosion in the exploration and adoption of combinatorial techniques. Indeed, it is difficult to identify any other topic in chemistry that has ever caught the imagination o Read More

In the present era, acquired immunodeficiency syndrome (AIDS) is the most fatal disorder for which no completely successful chemotherapy has been developed so far. The pandemic spread of this disease has prompted an unprecedented scientific and clinical effort to understand and combat it. A number of targets has been identified to stop the replication of the virus at different stages of its life cycle: Reverse Transcri Read More

Substructural Molecular Fragments (SMF) method was applied for computer-aided design of new compounds potentially possessing high anti-HIV activities: tetrahydroimidazobenzodiazepinone (TIBO) derivatives and 1-[2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) derivatives. Using available experimental data, the SMF method was first applied to build QSAR models based on fragment descriptors (atom/bond sequen Read More

The virtual screening approach for docking small molecules into a known protein structure is a powerful tool for drug design. In this work, a combined docking and neural network approach, using a selforganizing map, has been developed and applied to screen anti-HIV-1 inhibitors for two targets, HIV-1 RT and HIV-1 PR, from active compounds available in the Thai Medicinal Plants Database. Based on nevirapine and cal Read More

The HIV-1 RT inhibitory activity of 2-(2,6-dihalophenyl)-3-(substituted pyridin-2-yl)-thiazolidin- 4-ones has been analyzed with different topological descriptors obtained from DRAGON software. Here, simple topological descriptors (TOPO), Galvez topological charge indices (GVZ) and 2D autocorrelation descriptors (2DAUTO) have been found to yield good predictive models for the activity of these compounds. The correla Read More

selected 4-thiazolidinone have been synthesized and tested as anti-HIV activity. The results of the in vitro tests showed that one of the compounds, 5, inhibited the enzyme at 0.204μM concentration with minimal toxicity to MT-4 cell. Furthermore, the QSAR studies indicated the role of PMIZ, Ovality and Total energy content of the compounds in rationalizing the activity.

A facile and efficient oxidative cleavage of oximes to form carbonyl compounds is reported using phenyl iodonium (III) diacetate (PIDA) and polymer supported polydiacetoxyiodostyrene. Regeneration of carbonyl compounds from corresponding oximes is an important reaction, since oxime derivatives constitute one of the primary methods for purification and characterization of carbonyl compounds. This process over Read More

A DNA sequence is a finite sequence of letters in the 4-letter DNA alphabet σ = {A, C, G, T}. A set of condensed matrices was constructed to represent DNA sequences based on the sieve ratios of trinucleotide in sequence. Then, leading eigenvalues of these matrices were computed and considered as invariants for the DNA sequences. Similarity and dissimilarity analysis based on condensed matrices are given for eleven Read More

In the article published Combinatorial Chemistry & High Throughput Screening (181-195, Vol. 8 No.2, Table 1) it was incorrectly stated by mistake of the author that PTK787/ZK 222584 is being developed by Novartis/Schering -Plough AG. PTK787/ZK 222584 is in fact being codeveloped by Schering AG, Berlin, Germany and Novartis, Basel, Switzerland.