Polymeric nanomaterials-based theranostic platforms for triple-negative breast cancer (TNBC) treatment.

Breast cancer, the second leading global cause of death, affects 2.1 million women annually, with an alarming 15 percent mortality rate. Among its diverse forms, Triple-negative breast cancer (TNBC) emerges as the deadliest, characterized by the absence of hormone receptors.

Molecular modeling studies of pyridopurinone derivatives--potential phosphodiesterase 5 inhibitors.

Two- and three-dimensional quantitative structure-activity relationship (QSAR) and docking studies were carried out on a series of pyridopurinones, to model their phosphodiesterase 5 (PDE5) inhibitory activities. 2D-QSAR was performed using the heuristic and best multi linear regression (BMLR) methods in CODESSA (comprehensive descriptors for structural and statistical analysis), which had given linear models between the inhibitory activity and five descriptors of PDE5 inhibitors, with r(2)=0.987, 0.

Homology modeling of membrane proteins: a critical assessment.

Evaluation and validation of homology modeling protocols are indispensable for membrane proteins as experimental determination of their three-dimensional structure is an arduous task. The prediction ability of Modeller, MOE, InsightII-Homology and Swiss-PdbViewer (SPV) with different sequence alignments CLUSTALW, BLAST and 3D-JIGSAW have been assessed. The sequence identity of the target and template was chosen to be in the range of 25-35%.

Recent advances in molecular modeling and medicinal chemistry aspects of phospho-glycoprotein.

Phospho-glycoprotein (P-gp) is an efflux transporter expressed in many organs (ex: kidney, lung, liver and spleen) and in hormone producing or responsive tissues (ex: adrenal cortex, testis and placenta). It is involved in many important physiological functions. Among them the major one is extrusion of xenobiotics in order to detoxify the cells.

Rhythms of life: antecedents and outcomes of work-family balance in employed parents.

This study examined antecedents and outcomes of a fourfold taxonomy of work-family balance in terms of the direction of influence (work-family vs. family-work) and type of effect (conflict vs. facilitation).