Kinetic studies of pheromone-binding proteins (LdisPBP1 and LdisPBP2) from spongy moth Lymantria dispar with natural ligands and their analogues: Enantiomer distinction at external and internal binding sites
Notice bibliographique
Résumé
Olfaction plays an important role in the reproduction of the spongy moth, Lymantria dispar , a major defoliator of deciduous trees. Detection of the attractant sex pheromone, (7 R , 8 S )-epoxy-2-methyloctadecane, (+)-disparlure, aids males in the location of mates by triggering upwind flight behavior. The antipode, (-)-disparlure, inhibits upwind flight behavior. The sensory hairs on the antennae of the male moth are innervated by the dendrite of an olfactory neuron, which is immersed in sensory lymph, a solution with pheromone-binding proteins (PBPs). These proteins bind pheromone molecules selectively and are necessary for proper olfactory functioning. Two PBPs from spongy moth are known: LdisPBP1 and LdisPBP2 . The two proteins exhibit differences in their binding affinities towards various natural and unnatural ligands at their internal binding sites. Ligands are bound by PBPs in a two-step process: ligand capture results in binding to an external site, which is followed by movement of the ligand to the internal site. In this study, we investigate the differences in association and dissociation rates of the two proteins with (+)-disparlure, its enantiomer, (-)-disparlure, and some analogues with heteroatom substitutions of oxygen or sulfur at either carbon-5 or carbon-10, using stopped-flow kinetics. We used a fluorescent reporter (N-phenyl-1-naphthylamine, NPN), which competes with the ligands of interest and reports on external site binding in PBPs. The results are discussed in the context of kinetic selectivity of PBPs towards natural disparlure and synthetic analogue ligands, at their external binding sites, where enantiomer distinction has not been detected previously. Ligand docking simulations at two external sites of A and B forms and at one internal site of the B forms of the two proteins were used to interpret the enantioselectivity in the association and dissociation of the ligands. This paper also discusses the enantiomer selectivity and the molecular role of PBPs in the desorption from hydrophobic surfaces and partition between lipid vesicles and aqueous solutions of the pheromone enantiomers and their heteroatom-substituted analogues. Results are interpreted in terms of the contribution of ligand association and dissociation kinetics to the enantiomer selectivity of the spongy moth PBPs. • Stopped-flow assay of chiral pheromone enantiomers and analogues binding to Lymantria dispar pheromone-binding proteins ( Ldis PBPs) • Ldis PBP1 and Ldis PBP2 distinguish enantiomers at external binding sites with opposite enantioselectivity on millisecond time scales • Molecular interactions seen in docking simulations at external sites are consistent with association rate constants • Protein-ligand dynamics and partition between ligand detachment from an external binding site and ligand diffusion to the internal binding site affect dissociation rate constants • The PBP function of odorant desorption was enantioselective and could be interpreted in terms of association rate constants
Récupéré en direct depuis OpenAlex et désinversé. Les résumés ne sont pas conservés dans cette base de données : les index inversés représentent 8,6 Go des 9,3 Go de texte de la base, et le serveur dispose de 13 Go libres.
Comment cette classification a été obtenuedéplier
Prédiction distillée sur la base complète
Imitation des enseignantsNi prévalence calibrée, ni vérité terrain. Validation humaine à venir. Apprise à partir de 10 348 étiquettes directes de Codex et de 10 348 étiquettes directes de Gemma. Le mode candidate est l'union des têtes enseignantes seuillées; le consensus est leur intersection. Ces sorties portent le statut machine_predicted_unvalidated et ne sont ni des étiquettes humaines ni des étiquettes directes de modèles de pointe.
Scores Codex et Gemma par catégorie
| Catégorie | Codex | Gemma |
|---|---|---|
| Métarecherche | 0,000 | 0,000 |
| Méta-épidémiologie (sens strict) | 0,000 | 0,000 |
| Méta-épidémiologie (sens large) | 0,000 | 0,000 |
| Bibliométrie | 0,000 | 0,000 |
| Études des sciences et des technologies | 0,000 | 0,002 |
| Communication savante | 0,000 | 0,000 |
| Science ouverte | 0,000 | 0,000 |
| Intégrité de la recherche | 0,000 | 0,000 |
| Charge utile insuffisante (le modèle a refusé de juger) | 0,000 | 0,000 |
Scores machine (provisoires)
Les deux têtes enseignantes du modèle étudiant, lues sur ce travail. Un score ordonne la base pour la relecture; il n'affirme jamais une catégorie, et le statut de validation accompagne chaque rangée tel quel.
Scores de référence d'un modèle non mature (critères de maturité non atteints, 7 itérations). Un score ordonne; il n'affirme jamais une catégorie.
score_only:v0-immature-baseline · tel quel depuis la passe de notation : score_only signifie que le nombre peut ordonner les travaux, et qu'aucune étiquette de catégorie n'en découleClassification
machine, non validéePrédiction automatique; un appel candidat d’une seule tête enseignante, pas un consensus.
Le détail, modèle par modèle et score par score, se trouve en fin de page sous « Comment cette classification a été obtenue ».