Encontrados 7 documentos, a visualizar página 1 de 1

NMR and molecular modelling studies on elastase inhibitor-peptides for wound ma...

Proteases play an important and critical role in the physiological process of wound repair. However, excessive and unregulated release of proteolytic enzymes (e.g., elastase) mediates abnormal degradation of healthy tissues, which leads to inflammatory disorders such as chronic wounds. Thus, it is of therapeutic interest to develop novel synthetic inhibitor-peptides of elastase, which can restore the balance be...

Molecular modeling of hair keratin/peptide complex : using MM-PBSA calculations...

Molecular dynamics simulations of a keratin/peptide complex have been conducted to predict the binding affinity of four different peptides toward human hair. Free energy calculations on the peptides' interaction with the keratin model demonstrated that electrostatic interactions are believed to be the main driving force stabilizing the complex. The molecular mechanics–Poisson-Boltzmann surface area methodology ...

DNA molecular solvation in neat ionic liquids

Advances in the synthesis of Homochiral (-)-1-azafagomine and (+)-5-epi-1-azafa...

- A new expeditious preparation of homochiral (-)-1-azafagomine, and (+)-5-epi-1-azafagomine has been devised. Stoodley´s diastereoselective cycloaddition of dienes bearing a 2,3,4,6-tetraacetyl glucosyl chiral auxiliary to 4-phenyl-1,2,4-triazole-3,5-dione, was merged with Bols protocol for functionalizing alkenes into molecules bearing a glucosyl framework. Homochiral (+)-5-epi-1-azafagomine was synthetized f...

Synthesis of 1-azafagomine analog and 1-N-phenyl carboxamide 1-azafagomine cont...

Chemoenzymatic synthesis of 1-azafagomine analogues

Tailoring cutinase activity towards polyethylene terephthalate and polyamide 6,...

Cutinase from Fusarium solani pisi was genetically modified near the active site, by site-directed mutagenesis, to enhance its activity towards polyethylene terephthalate (PET) and polyamide 6,6 (PA 6,6) fibers. The mutations L81A, N84A, L182A, V184A and L189A were done to enlarge the active site in order to better fit a larger polymer chain. Modeling studies have shown enhanced free energy stabilization of mod...