Heteroaryl rings in peptide macrocycles
IV Smolyar, AK Yudin, VG Nenajdenko - Chemical reviews, 2019 - ACS Publications
This Review is devoted to the chemistry of macrocyclic peptides having heterocyclic
fragments in their structure. These motifs are present in many natural products and synthetic …
fragments in their structure. These motifs are present in many natural products and synthetic …
[HTML][HTML] Mechanisms of macromolecular protease inhibitors
CJ Farady, CS Craik - … : a European journal of chemical biology, 2010 - ncbi.nlm.nih.gov
Proteolytic enzymes are ubiquitous in all organisms and constitute 2–4% of the encoded
gene products. They are critical for diverse biological processes such as digestion, blood …
gene products. They are critical for diverse biological processes such as digestion, blood …
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses …
Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial
biological processes and even design compounds that interfere with PPIs with …
biological processes and even design compounds that interfere with PPIs with …
Peptide backbone composition and protease susceptibility: impact of modification type, position, and tandem substitution
HM Werner, CC Cabalteja, WS Horne - ChemBioChem, 2016 - Wiley Online Library
The clinical utility of peptides is limited by their rapid degradation by endogenous proteases.
Modification of the peptide backbone can generate functional analogues with enhanced …
Modification of the peptide backbone can generate functional analogues with enhanced …
Monospecific inhibitors show that both mannan-binding lectin-associated serine protease-1 (MASP-1) and-2 are essential for lectin pathway activation and reveal …
The lectin pathway is an antibody-independent activation route of the complement system. It
provides immediate defense against pathogens and altered self-cells, but it also causes …
provides immediate defense against pathogens and altered self-cells, but it also causes …
Arg236 in human chymotrypsin B2 (CTRB2) is a key determinant of high enzyme activity, trypsinogen degradation capacity, and protection against pancreatitis
Pancreatic chymotrypsins (CTRs) are digestive proteases that in humans include CTRB1,
CTRB2, CTRC, and CTRL. The highly similar CTRB1 and CTRB2 are the products of gene …
CTRB2, CTRC, and CTRL. The highly similar CTRB1 and CTRB2 are the products of gene …
Structure of an Fab–protease complex reveals a highly specific non-canonical mechanism of inhibition
CJ Farady, PF Egea, EL Schneider, MR Darragh… - Journal of molecular …, 2008 - Elsevier
The vast majority of protein protease inhibitors bind their targets in a substrate-like manner.
This is a robust and efficient mechanism of inhibition but, due to the highly conserved …
This is a robust and efficient mechanism of inhibition but, due to the highly conserved …
Pacifastin-related peptides: structural and functional characteristics of a family of serine peptidase inhibitors
B Breugelmans, G Simonet, V van Hoef, S Van Soest… - Peptides, 2009 - Elsevier
Members of the pacifastin family are serine peptidase inhibitors, found in arthropods and
have many members within different insect orders. Based on their structural characteristics …
have many members within different insect orders. Based on their structural characteristics …
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager
ZR Crook, EJ Girard, GP Sevilla, MY Brusniak… - Science translational …, 2022 - science.org
Cystine-dense peptides (CDPs) are a miniprotein class that can drug difficult targets with
high affinity and low immunogenicity. Tools for their design, however, are not as developed …
high affinity and low immunogenicity. Tools for their design, however, are not as developed …
Conformation Dependence of pKa: Ab Initio and DFT Investigation of Histidine
P Hudáky, A Perczel - The Journal of Physical Chemistry A, 2004 - ACS Publications
Proton affinity and p K a values of N-formyl-l-histidinamide are found to vary as a function of
its backbone and/or side-chain orientation. Proton affinities between the cationic and neutral …
its backbone and/or side-chain orientation. Proton affinities between the cationic and neutral …