Now showing items 1-6 of 6
Identification and insertion of 3-carbon bridges in protein disulfide bonds : A computational approach
More than 42,000 3D structures of proteins are available on the Internet. We have shown that the chemical insertion of a 3-carbon bridge across the native disulfide bond of a protein or peptide can enable the site-specific ...
Molecular dynamics simulations of proteins with chemically modified disulfide bonds
Proteins that are used as therapeutic drugs act in the extracellular microenvironment. They usually have a small number of intramolecular disulfide bonds to help maintain their tertiary structure in the vascular circulation. ...
The role of small molecule-small molecule interactions in overcoming biological barriers for antibacterial drug action
The ineffectiveness of antibiotics against bacteria can be caused by multidrug resistance (MDR) or by an outer membrane, which restricts the penetration of amphipathic compounds into Gram-negative bacteria. Remarkable ...
Quantum chemical studies on structure activity relationship of natural product polyacetylenes
An extract of the roots of Levisticum officinale L. (Apiaceae) exhibited significant antimycobacterial activity against Mycobacterium fortuitum, where diacetylene compounds were identified as the active components in this ...
Site-specific PEGylation of protein bisulfide bonds using a three-carbon bridge
The covalent conjugation of a functionalized poly(ethylene glycol) (PEG) to multiple nucleophilic amine residues results in a heterogeneous mixture of PEG positional isomers. Their physicochemical, biological, and ...
An LFER study of the protolytic equilibria of 4-aryl-2,4-dioxobutanoic acids in aqueous solutions
The protolytic equilibria of 13 4-aryl-2,4-dioxobutanoic acids (ADKs) were spectrophotometrically studied in aqueous solutions in the pH range 1-9 at 25±1°C and an ionic strength of 0.1 mol l (NaCl), with the exception of ...