Showing papers in "Bioorganic & Medicinal Chemistry in 1996"

TL;DR: As derivatized and underivatized fullerenes continue to become increasingly available, additional applications and further development of those discussed in this article will invariably follow.

TL;DR: Results unequivocally indicate that the optimum inhibitory binding properties of the new mannosylated dendrimers vary with both dendedrimers and lectin valencies.

TL;DR: The docking simulations involving E2020 analogues suggest these inhibitors do not bind at the acetylcholine, ACh, active site, but rather at the most narrow location of the long channel leading to the active site.

TL;DR: This review is intended to supplement previous surveys describing the early characterization and study of β-sheet structure and provide a brief introduction to β- sheet structure referencing the prior comprehensive reviews in this area as well as integrating new concepts.

TL;DR: None of these heterocyclic analogues were effective in significantly inhibiting cleavable-complex formation in the presence of DNA and topoisomerase I, suggesting a high degree of structural specificity associated with the interaction of these substituted benzimidazoles with the enzyme or the enzyme-DNA complex.

TL;DR: To streamline the preclinical phase of pharmaceutical development, the utility of structural data on the molecular target and synergy between computational and medicinal chemistry is explored and specific noncovalent inhibitors of proteases that play a key role in the parasites' life cycles are identified.

TL;DR: Sulfated sialyl Le(x) ganglioside analogues at C-6 of D-galactose, N-acetyl-D-glucosaminyl-beta (1-->3)-lactose derivatives, and of both D-Galactose and N- acetyl- D- glucosamine residues have been synthesized, in order to clarify the structure of the real carbohydrate ligand of L-selectin.

TL;DR: Structural-activity studies indicate that the structural rigidity associated with the coralyne ring system may be critical for pharmacological activity, and the presence of a 3,4-methylenedioxy substituent on these coralyn analogues was generally associated with enhanced activity as a topoisomerase poison.

TL;DR: Oxygenated pterocarpans and 5-azapterocarpan are prepared utilizing Lewis acid-promoted reactions of 2-alkoxy-1,4-benzoquinones with 2H-chromenes and N-tosyl- 1,2-dihydroquinolines, respectively.

TL;DR: The computer-automated structure evaluation programs MultiCASE and CASE were used to perform a quantitative structure-activity relationship study on tubulin polymerization inhibitors, resulting in a new hypothesis, consistent with extensive published experimental data, in which the C-ring and part of the B-ring of colchicine overlap with the A- and B-rings of podophyllotoxin.

TL;DR: The alpha-benzylaminobenzylphosphonic acid, with an IC50 = 4 nM, exhibited a 3500-fold improvement in potency over the carbon analogue, alpha-phenylethyl, which may be due to a combination of four favorable interactions including those with the phosphate binding region.

TL;DR: Structural-activity relationship studies reveal high sensitivity to substitution at the aniline ring in 4-anilido-substituted quinazolines which potently inhibit epidermal growth factor receptor (EGFR) kinase.

TL;DR: It is concluded that the intercalation model is consistent with most available data on the structure of the quinolone complex and predicted structure is stabilized by the binding of magnesium ion with the sp2 oxygens present in qu inolone, a phosphate and a purine base of the DNA.

TL;DR: Investigation into the biosynthesis of the cyclopentanoids by plants for exploiting aphid sex pheromones in crop protection by means of molecular biology required synthesis of putative biosynthetic intermediates, particularly 8-oxidised monoterpene alcohols and aldehydes.

TL;DR: It is suggested that the manner of combination between sugar and ceramide plays an important role in antitumor activity as well as enhancing effect on NK cell activity of GalCers.

TL;DR: A general approach to the solution phase, parallel synthesis of chemical libraries, which allows the preparation of multi-milligram quantities of each individual member, is exemplified with both a universal and dipeptide mimetic template.

TL;DR: Solid-phase methodology in combination with N-alkylation were used to synthesize a soluble peptidomimetic combinatorial library, which incorporated 50 different L-, D-, and unnatural amino acids.

TL;DR: Electrostatic analysis of the structures of TR and hGR provides a rationale for these results, and offers a new principle for inhibitor design, which gains further support from the observation that all known tricyclic competitive inhibitors of TR are positively charged.

TL;DR: The substrate specificity of the enzyme tocopherol cyclase from the blue-green algae Anabaena variabilis was investigated with 11 substrate analogues revealing the significance of three major recognition sites: the OH group at C(1) of the hydroquinone, the configuration of the double bond and the length of the lipophilic side chain.

TL;DR: The purification of vWF from crude material PEG filtrate of a cryoprecipitate of human plasma is demonstrated using affinity chromatography with immobilized N-acetyl-RVRSFYK and the interactions between vWF and the immobilized peptide RVRSFY are dominated by ionic attractions and also involve hydrophobic interactions at close contact.

TL;DR: The potential of parallel compound synthesis to rapidly optimise chemical leads and provide structure-activity relationship (SAR) information was demonstrated in two therapeutic areas, antiviral agents (herpes simplex virus), and neurokinin-2 receptor antagonists.

TL;DR: Head-space volatiles obtained from male mountain pine beetles were analyzed by coupled GC-MS and chiral gas chromatography and several stereoisomers of 7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane was found as a new naturally occurring isomer of brevicomin.

TL;DR: Under iron-depleted conditions which mimic human serum, conjugate 11 displayed enhanced antibacterial activity against an antibiotic hypersensitive strain of Pseudomonas aeruginosa.

TL;DR: These compounds inactivate the Yersinia PTPase in a time- and concentration-dependent fashion, and is surprisingly rapid in light of the stability of the alpha-halobenzylphosphonates toward nucleophiles in solution.

TL;DR: One analogue showed activity equivalent to that of TMP against DHFR from three species of bacteria, and an X-ray crystal structure of this inhibitor bound to Escherichia coli DHFR was determined to evaluate the structural consequences of the conformational restriction.

TL;DR: It is demonstrated that product inhibition of the E. coli SAM synthetase can also be overcome by adding a high concentration of beta-mercaptoethanol, acetonitrile, or urea.

TL;DR: Compounds with the heterocycle attached to a trigonal center at C-17, had the best affinity for C17(20) lyase, according to simple molecular models used to compare the three types of heterocyclic-substitute steroids.

TL;DR: The affinities of enantiomers of conformationally restricted melatonin analogues for the ML-1 and ML-2 putative melatonin receptor subtypes are reported and one of the pharmacophore models derived was selected for use in future drug design.

TL;DR: Results suggest 'random-glycosylation' to be a valid strategy for the rapid production of oligosaccharide libraries.