Results 31 to 40 of about 1,041,210 (312)

Affinity of cefoperazone for penicillin-binding proteins [PDF]

Antimicrobial Agents and Chemotherapy, 1980
Cefoperazone (T-1551, CFP) a new semisynthetic cephalosporin, has a broad spectrum of antibacterial activity. We investigated the affinity of CFP to penicillin-binding proteins (PBPs) and the inhibition of peptidoglycan synthesis by CFP. CFP had high affinities for Escherichia coli PBP-3, -1Bs, -2, and -1A, in descending order, and low affinities for ...
N, Matsubara, S, Minami, M, Matsuhashi, M, Takaoka, S, Mitsuhashi   +4 more
openaire   +2 more sources

FoldAffinity: binding affinities from nDSF experiments [PDF]

Scientific Reports, 2021
AbstractDifferential scanning fluorimetry (DSF) using the inherent fluorescence of proteins (nDSF) is a popular technique to evaluate thermal protein stability in different conditions (e.g. buffer, pH). In many cases, ligand binding increases thermal stability of a protein and often this can be detected as a clear shift in nDSF experiments.
Niebling, Stephan, Burastero, Osvaldo, Bürgi, Jérôme, Günther, Christian, Defelipe, Lucas Alfredo, Sander, Simon, Gattkowski, Ellen, Anjanappa, Raghavendra, Wilmanns, Matthias, Springer, Sebastian, Tidow, Henning, García Alai, María   +11 more
openaire   +4 more sources

PBCNet：Computing Relative Binding Affinity of Ligands to a Receptor Based on a Pairwise Binding Comparison Network for Lead Optimization [PDF]

, 2023
Structure-based lead optimization is an open challenge in drug discovery, which is still largely driven by hypotheses and depends on the experience of medicinal chemists.
Geng, Chen, Duanhua, Cao, Xiaomin, Luo, Hualiang, Jiang, Xiaohong, Liu, Dingyan, Wang, Jie, Yu, Zhaojun, Li, Xutong, Li, Jie, Hu, Gang, Wang, Mingyue, Zheng, Xiangtai, Kong, Yanbei, Li   +13 more
core   +1 more source

Binding Affinity via Docking: Fact and Fiction

Molecules, 2018
In 1982, Kuntz et al. published an article with the title “A Geometric Approach to Macromolecule-Ligand Interactions”, where they described a method “to explore geometrically feasible alignment of ligands and receptors of known ...
Tatu Pantsar, Antti Poso
doaj   +1 more source

Computational Design of Nanobody Binding to Cortisol to Improve Their Binding Affinity Using Molecular Docking and Molecular Dynamics Simulations

Indonesian Journal of Chemistry, 2022
Currently, nanobody binding cortisol has been deposited in the database. Unfortunately, the affinity is still in micromolar order. Substituting hydrophobic residues in the binding pocket and utilizing CDR2 and CDR3 is the strategy to improve the affinity.
Umi Baroroh, Nur Asni Setiani, Irma Mardiah, Dewi Astriany, Muhammad Yusuf   +4 more
doaj   +1 more source

Structure and affinity of DNA binding peptides [PDF]

Nucleic Acids Symposium Series, 2000
Artificial peptides designed to form alpha-helical, beta-turn, antiparallel beta-sheet and beta-hairpin structures which are among the motifs most frequently found in natural DNA/RNA binding proteins were synthesized and their characteristic features were examined in the presence or absence of double or triple stranded DNA by means of UV melting ...
T, Kubo, K, Yokoyama, R, Ueki, S, Abe, K, Goto, T, Niidome, H, Aoyagi, K, Iwakuma, S, Ando, S, Ono, M, Fujii   +10 more
openaire   +2 more sources

Inhibition of sequestration of human B-2 bradykinin receptor by phenylarsine oxide or sucrose allows determination of a receptor affinity shift and ligand dissociation in intact cells [PDF]

, 2004
Depending on their interaction with intracellular proteins, G proteincoupled receptors (GPCR) often display different affinities for agonists at 37degreesC. Determining the affinity at that temperature is often difficult in intact cells as most GPCRs are
Faussner, Alexander, Jochum, Marianne, Schuessler, Steffen, Seidl, Cornelia   +3 more
core   +1 more source

PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity

Journal of Cheminformatics, 2023
Protein mutations, especially those which occur in the binding site, play an important role in inter-individual drug response and may alter binding affinity and thus impact the drug’s efficacy and side effects.
Ammar Ammar, Rachel Cavill, Chris Evelo, Egon Willighagen   +3 more
doaj   +1 more source

Quantification of binding affinity of glyconanomaterials with lectins

Chemical Communications, 2020
This Feature Article discusses the techniques to determine the binding affinity glyconanomaterials, which is critical for the evaluation of nanomaterials as multivalent scaffolds in enhancing carbohydrate–lectin interactions.
Sajani H. Liyanage, Mingdi Yan
openaire   +3 more sources

Characterization of Aptamer-Protein Complexes by X-ray Crystallography and Alternative Approaches [PDF]

, 2012
Aptamers are oligonucleotide ligands, either RNA or ssDNA, selected for high-affinity binding to molecular targets, such as small organic molecules, proteins or whole microorganisms.
Levisson, M., Smidt, H., Ruigrok, V.J.B., Mark Levisson, Dijkstra, B.W., Hekelaar, J., Dijkstra, Bauke W., Hauke Smidt, Ruigrok, Vincent J.B.,, van der Oost, John, Bauke W. Dijkstra, Smidt, Hauke,, Hekelaar, Johan, Dijkstra, Bauke W.,, Hekelaar, Johan,, Vincent J. B. Ruigrok, Levisson, Mark,, Oost, J., van der, Levisson, Mark, Smidt, Hauke, Johan Hekelaar, John Van der Oost, van der Oost, J., Oost, John van der,, Ruigrok, Vincent J. B.   +24 more
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