Topological polar surface area (TPSA), which makes use of functional group contributions
based on a large database of structures, is a convenient measure of the polar surface area …

The O-GlcNAc modification is found on many nucleocytoplasmic proteins. The dynamic
nature of O-GlcNAc, which in some ways is reminiscent of phosphorylation, has enabled …

To be effective, drugs in an oral dosage form first must be absorbed and then reach the
target organs via systemic circulation. Barriers that prevent drugs from reaching the systemic …

The p53 is a tumor suppressor protein that adjusts cell cycle and growth arrest as well as
genes that restore DNA damage and apoptosis. Murine double minute 2 (MDM2) is a main …

Computational chemical methods have been used to correlate the molecular properties of
the 10 ACE inhibitors (captopril, enalapril, perindopril, lisinopril, ramipril, trandolapril …

The methods of theoretical chemistry have been used to elucidate molecular properties of
the hypoglycemic sulfonylureas and glinides (acetohexamide, tofazamide, tolbutamide …

Pyrrolyl-propionic and butyric-acid derivatives 1 and 2 were synthesized in order to study the
effect of the variation of the methylene chain in comparison to the previously reported …

Extensive investigation on the molecular and electronic structure of 2-amino-5-
trifluoromethyl-1, 3, 4-thiadiazole in the ground state and in the first excited state has been …

Starting from the efficient hexahydropyridoindole antioxidant stobadine, a series of
carboxymethylated tetrahydro-and hexahydropyridoindole derivatives was synthesized and …

The methods of theoretical chemistry have been used to elucidate molecular properties of
factor Xa inhibitors (rivaroxaban, apixaban, otamixaban, betrixaban, razaxaban, and DX …