Computational studies of ligand-protein binding are crucial for properly designing novel compounds of potential pharmacological interest. In this respect, researchers are increasingly interested in steered molecular dynamics for ligand-protein binding and unbinding studies. In particular, it has been suggested that analyzing the work profiles along the ligand-protein undocking paths could be fr...

Parallel tempering (or the replica exchange method (REM)) is a powerful method for speeding up the sampling of conformational states of systems with rough energy landscapes, like proteins, where stable conformational states can be separated by large energy barriers. The usual implementation of the REM is performed on local computer clusters (or parallel processors) where the different replicas ...

Andrographolide (ADH), a diterpenoid lactone extracted from Andrographis paniculata, has been found to have anti-inflammatory and anti-oxidative effects. However, its protective effects and mechanisms on liver injury have not been investigated clearly. This study takes an attempt to reveal the protective effects and mechanism of ADH on lipopolysaccharide (LPS) and D-galactosamine (D-GalN)-induc...

background: aspartate transaminase (ast) is an important enzyme in parasite and liver tissue. the purpose of this investigation is to evaluate triclabendazole (tcbz) effect on ast activity of fasciola gigantica parasite. to compare of enzyme level of parasite and its host tissue, enzyme activity of f. gigantica parasite and liver tissues were also determined. method: the livers were collected f...

background by the current global obesogenic environment, non-alcoholic fatty liver disease is becoming an important health problem in the pediatric age group. objectives this study aimed to determine the first age-and gender-specific percentiles and upper limit normal limit (uln) of alanine aminotransaminase (alt) and aspartate aminotransaminase (ast) among a nationally-representative sample of...

Purified D-amino acid transaminase from Bacillus sphaericus catalyzes an (~,/3 elimination from the D isomer of pchloroalanine to yield equivalent amounts of pyruvate, chloride, and ammonia; the L isomer of chloroalanine is not a substrate for this transaminase. During the /I elimination there is a synchronous loss in enzyme activity; the Kinact for /I-chloroalanine was estimated to be about 10...

in a 42-d experiment, 576 one-day-old vencobb 308 broiler chicks were used to investigate the effects of lecithin extract (0.5 g/kg), choline chloride 60% (1 g/kg) and bio choline (1 g/kg) in diets of moderate and high energy in a 4 × 2 factorial arrangement on performance and certain physiological traits in broiler chickens. the inclusion of bio choline and lecithin extract in the diet signifi...