Novotny, Jan; Yurenko, Yevgen P.; Kulhanek, Petr; Marek, Radek published the artcile< Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications>, Reference of 112-63-0, the main research area is guanine quadruplex xanthine derivative mol dynamic simulation.
Guanine DNA quadruplexes are interesting and important biol. objects because they represent potential targets for regulatory drugs. Their use as building blocks for biomaterial applications is also being investigated. This contribution reports the in silico design of artificial building blocks derived from xanthine. Methods of quantum chem. were used to evaluate the properties of xanthine structures relative to those containing guanine, the natural reference used. Tailoring the xanthine core showed that the base stacking and the ion coordination were significantly enhanced in the designed systems, while the ion-transport properties were not affected. Our study suggests that the 9-deaza-8-haloxanthine bases (where the halogen is fluorine or chlorine) are highly promising candidates for the development of artificial quadruplexes and quadruplex-active ligands.
Physical Chemistry Chemical Physics published new progress about Density functional theory. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics