Affiliation: Magna Graecia University
Alcaro S, Artese A, Ceccherini Silberstein F, Chiarella V, Dimonte S, Ortuso F, et al
. Computational analysis of Human Immunodeficiency Virus (HIV) Type-1 reverse transcriptase crystallographic models based on significant conserved residues found in Highly Active Antiretroviral Therapy (HAART)-treated patients. Curr Med Chem. 2010;17:290-308 pubmed
..A definite future application of this method will be the identification of conserved regions of critical macromolecules, such as the HIV-1 RT, to be targeted for the development of innovative therapeutic agents. ..
Alcaro S, Arcone R, Costa G, De Vita D, Iannone M, Ortuso F, et al
. Simple choline esters as potential anti-Alzheimer agents. Curr Pharm Des. 2010;16:692-7 pubmed
..The results demonstrated that one of the esters can exert biological effects similar to the parent compound. ..
Alcaro S, Artese A, Iley J, Missailidis S, Ortuso F, Parrotta L, et al
. Rational design, synthesis, biophysical and antiproliferative evaluation of fluorenone derivatives with DNA G-quadruplex binding properties. ChemMedChem. 2010;5:575-83 pubmed publisher
..The results of theoretical, biophysical, and in vitro experiments indicate two novel derivatives as lead compounds for the development of a new generation of G-quadruplex ligands with greater potency and selectivity. ..
Alcaro S, Costa G, Distinto S, Moraca F, Ortuso F, Parrotta L, et al
. The polymorphisms of DNA G-quadruplex investigated by docking experiments with telomestatin enantiomers. Curr Pharm Des. 2012;18:1873-9 pubmed
..With respect to this last issue we propose an easy approach to classify binding modes of G-quadruplex ligands based on a single angle descriptor as tool for the quick analysis of the binding modes. ..
Rocca R, Moraca F, Costa G, Alcaro S, Distinto S, Maccioni E, et al
. Structure-based virtual screening of novel natural alkaloid derivatives as potential binders of h-telo and c-myc DNA G-quadruplex conformations. Molecules. 2014;20:206-23 pubmed publisher
..Among them, a berberine derivative, already known to remarkably inhibit telomerase activity, was related to a better theoretical affinity versus c-myc. ..
Rocca R, Moraca F, Costa G, Nadai M, Scalabrin M, Talarico C, et al
. Identification of G-quadruplex DNA/RNA binders: Structure-based virtual screening and biophysical characterization. Biochim Biophys Acta Gen Subj. 2017;1861:1329-1340 pubmed publisher
..This article is part of a Special Issue entitled "G-quadruplex" Guest Editor: Dr. Concetta Giancola and Dr. Daniela Montesarchio. ..