Inhibition of shikimate kinase and type II dehydroquinase for antibiotic discovery: structure-based design and simulation studies
C Gonzalez-Bello - Current Topics in Medicinal Chemistry, 2016 - ingentaconnect.com
The loss of effectiveness of current antibiotics caused by the development of drug resistance
has become a severe threat to public health. Current widely used antibiotics are surprisingly …
has become a severe threat to public health. Current widely used antibiotics are surprisingly …
π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures
A Bauzá, A Frontera… - Chemistry–A European …, 2019 - Wiley Online Library
Studying noncanonical intermolecular interactions between a ligand and a protein
constitutes an emerging research field. Identifying synthetically accessible molecular …
constitutes an emerging research field. Identifying synthetically accessible molecular …
New lipophenols prevent carbonyl and oxidative stresses involved in macular degeneration
E Moine, M Boukhallat, D Cia, N Jacquemot… - Free Radical Biology …, 2021 - Elsevier
Dry age-related macular degeneration and Stargardt disease undergo a known toxic
mechanism caused by carbonyl and oxidative stresses (COS). This is responsible for …
mechanism caused by carbonyl and oxidative stresses (COS). This is responsible for …
Synthesis and spectroscopic studies of 3-carbamoylisonicotinic acid derivatives
OV Ershov, MY Ievlev, MY Belikov, SV Fedoseev - Tetrahedron Letters, 2018 - Elsevier
An unusual example of the selective hydrolysis of a cyano group to the corresponding
carboxyl group under mild reaction conditions in the presence of a carboxamide group is …
carboxyl group under mild reaction conditions in the presence of a carboxamide group is …
Chemical modification of a dehydratase enzyme involved in bacterial virulence by an ammonium derivative: evidence of its active site covalent adduct
C González-Bello, L Tizón, E Lence… - Journal of the …, 2015 - ACS Publications
The first example of an ammonium derivative that causes a specific modification of the active
site of type I dehydroquinase (DHQ1), a dehydratase enzyme that is a promising target for …
site of type I dehydroquinase (DHQ1), a dehydratase enzyme that is a promising target for …
In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori …
C Pasala, SK Katari, RM Nalamolu, AR Bitla… - Journal of Molecular …, 2019 - Elsevier
A myriad of drug-resistant strains of Helicobacter pylori and adverse drug-reactions create a
big-barrier in the treatment, thereby demanding novel proof-of-concept inhibitors and …
big-barrier in the treatment, thereby demanding novel proof-of-concept inhibitors and …
The chemistry of citrazinic acid (2, 6-dihydroxyisonicotinic acid)
G Fischer - Advances in Heterocyclic Chemistry, 2023 - Elsevier
Citrazinic acid is an important substance because of its applicability and its role as a
chemical precursor. The synthetic section of this review stresses the formation of the product …
chemical precursor. The synthetic section of this review stresses the formation of the product …
Reducing the Flexibility of Type II Dehydroquinase for Inhibition: A Fragment‐Based Approach and Molecular Dynamics Study
A Peón, A Robles, B Blanco, M Convertino… - …, 2017 - Wiley Online Library
A multidisciplinary approach was used to identify and optimize a quinazolinedione‐based
ligand that would decrease the flexibility of the substrate‐covering loop (catalytic loop) of the …
ligand that would decrease the flexibility of the substrate‐covering loop (catalytic loop) of the …
One-Pot Synthesis of 3-Carbamoyl-2-oxo-1, 2-dihydropyridine-4-carboxylic Acids
SV Fedoseev, KV Lipin, OV Ershov - Russian Journal of Organic …, 2023 - Springer
A one-pot synthesis of 3-carbamoyl-2-oxo-1, 2-dihydropyridine-4-carboxylic acids has been
developed via the reaction of 4-oxoalkane-1, 1, 2, 2-tetracarbonitriles with water, followed by …
developed via the reaction of 4-oxoalkane-1, 1, 2, 2-tetracarbonitriles with water, followed by …
In silico identification of metabolic enzyme drug targets in Burkholderia pseudomallei
JF Challacombe - bioRxiv, 2015 - biorxiv.org
The intracellular pathogen Burkholderia pseudomallei, which is endemic to parts of
southeast Asia and northern Australia, causes the disease melioidosis. Although acute …
southeast Asia and northern Australia, causes the disease melioidosis. Although acute …