Modification of peptide sequence offers versatile control over their self-organization capability within adlayers adsorbed on surfaces. However, to gain full the self-organization, clear links between and lateral ordering in these must be established. Using molecular dynamics simulations WA or AW dipeptides, spontaneous emergence ordered nano-patterns containing neutral, zwitterion, neutral-zwi...

A series of linear and macrocyclic peptides 3-12 were synthesized using 3,5-pyridinedicarboxylic acid (1) as starting material and screened for their antimicrobial, anti-inflammatory and anticancer activities. Bis-ester 3 was prepared from 1 and L-leucine methyl ester. Hydrazinolysis and hydrolysis of dipeptide methyl ester 3 with hydrazine hydrate or 1 N sodium hydroxide afforded compounds 4 a...

The self-assembly of low molecular weight gelators to form gels has enormous potential for cell culturing, optoelectronics, sensing, and for the preparation of structured materials. There is an enormous “chemical space” of gelators. Even within one class, functionalised dipeptides, there are many structures based on both natural and unnatural amino acids that can be proposed and there is a need...

We present an analysis of the thermodynamics, conformational dynamics, and kinetics of the solvated alanine dipeptide molecule. Solvation was treated in the framework of the OPLS/analytic generalized born with nonpolar interactions effective potential model. The effective free energy map was generated in a series of multiwindow umbrella sampling all-atom simulations using the weighted histogram...

Objective: To prepare a new series of [Cu(L-dipeptide)(5-NO2-phen)] complexes and study the influence of the nitro group on the structure, DNA interaction and cytotoxic activity, aimed at finding new copper compounds with antitumor activity. Methodology and results: A series of mononuclear mixed ligand copper(II) complexes of the type [Cu(L-dipeptide)(5-NO2-phen)]∙nH2O (where L-dipeptide: Ala-P...

To investigate dipeptide assimilation by the liver, a series of interrelated experiments were performed in rats. Partial hepatectomy prolonged the plasma halflife (min) of Gly-Ala (3.42 f 0.22 uersus 4.90 f 0.35, p < 0.05) but had no significant effect on plasma halflife of Gly-Leu, Gly-Pro, or Gly-Sar. We then investigated the rate of disappearance (pmol*(g liver. h)”) of the above four dipept...

Vancomycin is a glycopeptide antibiotic used for the treatment of serious infections by Gram-positive pathogens. Vancomycin inhibits cell wall biosynthesis by targeting the d-Ala-d-Ala terminus of peptidoglycan (PG). The highly cross-linked heptapeptide aglycon structure of vancomycin is the d-Ala-d-Ala binding site. The first residue of vancomycin is N-methyl-leucine, which is crucial for the ...

Nuclear receptors are key transcription factors that regulate crucial gene networks responsible for cell growth, differentiation, and homeostasis. Nuclear receptors form a superfamily of phylogenetically related proteins and control functions associated with major diseases (e.g. diabetes, osteoporosis, and cancer). In this study, a novel method has been developed for classifying the subfamilies...

Hexanucleotide repeat expansions in C9orf72 are the most common inherited cause of amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). The expansions elicit toxicity in part through repeat-associated non-AUG (RAN) translation of the intronic (GGGGCC)n sequence into dipeptide repeat-containing proteins (DPRs). Little is known, however, about the structural characteristics and ...

The premise that a dietary dipeptide approach will improve the understanding of amino acid utilization in the fastest-growing vertebrate, the teleost fish, was tested by examining the muscle free amino acid (FAA) pool and enzyme activities, in concert with growth response, when dietary amino acids were provided in free, dipeptide or protein molecular forms. We present the first evidence in fish...