Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c04819
Abstract: Recently, we reported a library of 82 compounds, selected from different databanks through virtual screening and docking studies, and pointed to 6 among them as potential repurposed dual binders to both the catalytic site and… read more here.
Keywords: site secondary; catalytic site; subunit ricin; secondary binding ... See more keywords
Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites
Sign Up to like & getrecommendations! Published in 2018 at "Nucleic Acids Research"
DOI: 10.1093/nar/gkx1012
Abstract: Abstract M-CSA (Mechanism and Catalytic Site Atlas) is a database of enzyme active sites and reaction mechanisms that can be accessed at www.ebi.ac.uk/thornton-srv/m-csa. Our objectives with M-CSA are to provide an open data resource for… read more here.
Keywords: catalytic site; reaction mechanisms; site; database enzyme ... See more keywords
Design, synthesis, and structural elucidation of novel NmeNANAS inhibitors for the treatment of meningococcal infection
Sign Up to like & getrecommendations! Published in 2019 at "PLoS ONE"
DOI: 10.1371/journal.pone.0223413
Abstract: Neisseria meningitidis is the primary cause of bacterial meningitis in many parts of the world, with considerable mortality rates among neonates and adults. In Saudi Arabia, serious outbreaks of N. meningitidis affecting several hundreds of… read more here.
Keywords: novel; design synthesis; catalytic site; synthesis structural ... See more keywords
Acarbose potentially binds to the type I peptide deformylase catalytic site and inhibits bacterial growth: An in silico and in vitro study.
Sign Up to like & getrecommendations! Published in 2022 at "Current pharmaceutical design"
DOI: 10.2174/1381612828666220922100556
Abstract: BACKGROUND In bacteria, peptide deformylase (PDF), a metalloenzyme, removes N-formyl methionine from a nascent protein, which is a critical step in the protein maturation process. The enzyme is ubiquitously present in bacteria and possesses therapeutic… read more here.
Keywords: peptide deformylase; deformylase catalytic; catalytic site; site ... See more keywords
F1FO ATP synthase molecular motor mechanisms
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Microbiology"
DOI: 10.3389/fmicb.2022.965620
Abstract: The F-ATP synthase, consisting of F1 and FO motors connected by a central rotor and the stators, is the enzyme responsible for synthesizing the majority of ATP in all organisms. The F1 (αβ)3 ring stator… read more here.
Keywords: catalytic site; atp synthase; rotation; subunit ... See more keywords
Analyzing In Silico the Relationship Between the Activation of the Edema Factor and Its Interaction With Calmodulin
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2020.586544
Abstract: Molecular dynamics (MD) simulations have been recorded on the complex between the edema factor (EF) of Bacilllus anthracis and calmodulin (CaM), starting from a structure with the orthosteric inhibitor adefovir bound in the EF catalytic… read more here.
Keywords: catalytic site; site; calmodulin; edema factor ... See more keywords
Rutin Potentially Binds the Gamma Secretase Catalytic Site, Down Regulates the Notch Signaling Pathway and Reduces Sphere Formation in Colonospheres
Sign Up to like & getrecommendations! Published in 2022 at "Metabolites"
DOI: 10.3390/metabo12100926
Abstract: Rutin, a natural flavonol, can modulate molecular signaling pathways and has considerable potential in cancer treatment. However, little is known about the effect of rutin on the notch signaling pathway (NSP) in cancer and cancer… read more here.
Keywords: notch signaling; signaling pathway; gamma secretase; catalytic site ... See more keywords
Allosteric cooperation in β-lactam binding to a non-classical transpeptidase
Sign Up to like & getrecommendations! Published in 2022 at "eLife"
DOI: 10.7554/elife.73055
Abstract: L,D-transpeptidase function predominates in atypical 3 → 3 transpeptide networking of peptidoglycan (PG) layer in Mycobacterium tuberculosis. Prior studies of L,D-transpeptidases have identified only the catalytic site that binds to peptide moiety of the PG… read more here.
Keywords: allosteric cooperation; catalytic site; site; lactam ... See more keywords