Covalent inhibition of P. falciparum ferredoxin-NADP+ reductase: Exploring alternative strategies for the development of new antimalarial drugs.
Sign Up to like & getrecommendations! Published in 2021 at "Biochemical and biophysical research communications"
DOI: 10.1016/j.bbrc.2021.09.008
Abstract: The protozoan Plasmodium falciparum is the main aetiological agent of tropical malaria. Characteristic of the phylum is the presence of a plastid-like organelle which hosts several homologs of plant proteins, including a ferredoxin (PfFd) and… read more here.
Keywords: ferredoxin; reductase; covalent inhibition; falciparum ... See more keywords
Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c09876
Abstract: The widespread design of covalent drugs has focused on crafting reactive groups of proper electrophilicity and positioning toward targeted amino-acid nucleophiles. We found that environmental electric fields projected onto a reactive chemical bond, an overlooked… read more here.
Keywords: covalent inhibition; protein electric; enable faster; fields enable ... See more keywords
Structure-based design of targeted covalent inhibitors.
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Society reviews"
DOI: 10.1039/c7cs00220c
Abstract: Covalent inhibition is a rapidly growing discipline within drug discovery. Many historical covalent inhibitors were discovered by serendipity, with such a mechanism of action often regarded as undesirable due to potential toxicity issues. Recent progress… read more here.
Keywords: covalent inhibitors; targeted covalent; covalent inhibition; covalent ... See more keywords
Computational investigation on the antioxidant activities and on the Mpro SARS-CoV-2 non-covalent inhibition of isorhamnetin
Sign Up to like & getrecommendations! Published in 2023 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2023.1122880
Abstract: In the present work, we report a computational study on some important chemical properties of the flavonoid isorhamnetin, used in traditional medicine in many countries. In the course of the study we determined the acid-base… read more here.
Keywords: covalent inhibition; non covalent; investigation; sars cov ... See more keywords
Coupling of HSP72 α-Helix Subdomains by the Unexpected Irreversible Targeting of Lysine-56 over Cysteine-17; Coevolution of Covalent Bonding
Sign Up to like & getrecommendations! Published in 2020 at "Molecules"
DOI: 10.3390/molecules25184239
Abstract: Covalent inhibition has recently gained a resurgence of interest in several drug discovery areas. The expansion of this approach is based on evidence elucidating the selectivity and potency of covalent inhibitors when bound to particular… read more here.
Keywords: hsp72 helix; covalent inhibition; helix subdomains; covalent ... See more keywords
Covalent Inhibition of the Human 20S Proteasome with Homobelactosin C Inquired by QM/MM Studies
Sign Up to like & getrecommendations! Published in 2022 at "Pharmaceuticals"
DOI: 10.3390/ph15050531
Abstract: 20S proteasome is a main player in the protein degradation pathway in the cytosol, thus intervening in multiple pivotal cellular processes. Over the years the proteasome has emerged as a crucial target for the treatment… read more here.
Keywords: 20s proteasome; covalent inhibition; homobelactosin; inhibition ... See more keywords