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Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders


, : Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders. Biochimie 93(8): 1267-1274

Human telomeres are comprised of d(TTAGGG) repeats involved in the formation of G-quadruplex DNA structures. Ligands that stabilize these G-quadruplex DNA structures are potential inhibitors of the cancer cell-associated enzyme telomerase. In human cells, telomerase adds multiple copies of the 5'-GGTTAG-3' motif to the end of the G-strand of the telomere and in the majority of tumor cells it results over-expressed. Several structural studies have revealed a diversity of topologies for telomeric quadruplexes, as confirmed by the different conformations deposited in the Protein Data Bank. In recent years an increasing number of chemically diverse telomerase inhibitors have been identified, including both natural and synthetic compounds. Thus telomerase has been regarded as one of the most attractive targets in cancer treatment. In this manuscript, with the aim to rationalize the different experimental activities of known telomerase inhibitors, a computational study was carried out to investigate their conformational properties and the relationships between the target affinity and the ligands solvent-accessible surface area. Among the analyzed different scaffolds of G-quadruplex binders, such a descriptor provided helpful preliminary information to discriminate end-stacking ligand binding affinities, revealing itself as a useful predictive tool in drug design and lead optimization processes.

US$19.90

PMID: 21699954

DOI: 10.1016/j.biochi.2011.06.014


Other references

Yoshihara, T.; Sato, Y.; Sakamura, S., 1978: Isolation and identification of polyphenolic compounds in the leaves of eggplant (Solanum melongena L.). Leaf analyses yielded 4-ethylcatechol, trans-caffeic acid, hydrocaffeic acid, protocatechuic acid, chlorogenic acid and 2 compounds considered to be artifacts.

Sotonin, N.Ya, 1980: Determining the main parameters of a roller-type crusher for crushing logging waste (branches and tops). An account is given of the design (illustrated) of a roller-type crusher for comminuting branches and tops to make them more easily transportable; the two rollers bear sharpened transverse discs and longitudinal knives. Formulae are derived for ca...

Mazeaud, M., 1969: Biosynthese de ladrenaline dans le coeur de laLamproie marine Petromyzon marinus L. C.r. Seanc. Soc. Biol.: 163: 2051-2055

Rao P.G.; Kodandaramaiah J., 1983: Effect of temperature pre treatment and gibberellic acid on growth chlorophyll and protein in vigna radiata. Current Science (Bangalore) 52(20): 985-988

Evans, D.O., 1984: Temperature independence of the annual cycle of standard metabolism in the pumpkinseed. Standard metabolic rate of the pumpkinseed (Lepomis gibbosus) was estimated at 8 degrees to 32 degrees C and within each season of the year. Results may explain previously reported thermal zones of metabolic homeostasis in pumpkinseed and other fi...

Trziszka, T.S.olinska, T., 1978: The influence of storage conditions on changes occuring in the electrophoretic pattern of egg proteins. Przemysl spozywczy2(6): 225-227

Moghraby, J.S.; Tamim, H.; Anacan, V.; A.K.alaf, H.; Moghraby, S.A., 2010: HLA sharing among couples appears unrelated to idiopathic recurrent fetal loss in Saudi Arabia. Recurrent fetal loss (RFL) is a prevalent problem affecting approximately 1% of all women of childbearing age. Many factors can lead to RFL; however, recent studies have indicated the important role of the maternal immune system in this process. T...

Berengo, A.; Bussinello, E., 1953: Experimental thyropathies produced by intrathyroid and intravenous inoculation of Staphylococcus albus in adrenalectomized and in DOCA-treated rat. Rivista Dell'istituto Sieroterapico Italiano 28(6): 531-538

Simonneau, P., 1947: Growing pomegranates at Saint-Denis du Sig. Of the Spanish varieties of pomegranate now grown in North Africa, the author would base selection upon Dulce colorada and Granada blanca. So far American and Russian varieties have not been tested.

Turnbull, J.M., 1995: The rational clinical examination. Is listening for abdominal bruits useful in the evaluation of hypertension?. JAMA 274(16): 1299-1301