The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies

Liggri, Panagiota G.V.; Tsitsanou, Katerina E.; Stamati, Evgenia C.V.; Saitta, Francesca; Drakou, C.E.; Leonidas, D.D.; Fessas, Dimitrios; Zographos, Spyros E.

doi:10.1016/j.ijbiomac.2023.124009

Cited by 11 publications

(4 citation statements)

References 76 publications

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“…Recently, Liggri et al (2023) have shown that both thymol and carvacrol bind to the novel mosquito protein AgamOBP5, an odorant-binding protein that is involved in the odorant perception process of mosquitoes [ 33 ]. This was the first study to show the binding of a natural plant-derived insect repellent to an odorant-binding protein.…”

Section: Thymolmentioning

confidence: 99%

Anti-Inflammatory and Antimicrobial Properties of Thyme Oil and Its Main Constituents

Vassiliou

Awoleye

Davis

et al. 2023

IJMS

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Thyme oil (TO) is derived from the flowers of various plants belonging to the genus Thymus. It has been used as a therapeutic agent since ancient times. Thymus comprises numerous molecular species exhibiting diverse therapeutic properties that are dependent on their biologically active concentrations in the extracted oil. It is therefore not surprising that oils extracted from different thyme plants present different therapeutic properties. Furthermore, the phenophase of the same plant species has been shown to yield different anti-inflammatory properties. Given the proven efficacy of TO and the diversity of its constituents, a better understanding of the interactions of the various components is warranted. The aim of this review is to gather the latest research findings regarding TO and its components with respect to their immunomodulatory properties. An optimization of the various components has the potential to yield more effective thyme formulations with increased potency.

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Section: Thymolmentioning

confidence: 99%

Anti-Inflammatory and Antimicrobial Properties of Thyme Oil and Its Main Constituents

Vassiliou

Awoleye

Davis

et al. 2023

IJMS

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“…Data were analyzed by means of the software THESEUS (Barone et al, 1992) following procedures reported in previous studies (Liggri et al, 2023; Mam et al, 2023). Briefly, the apparent molar heat capacity C P (T) of the sample was scaled with respect to the pre-denaturation region (namely, the region corresponding to T < T i , where T i is the highest temperature at which only the native protein is present, also indicated as molar heat capacity of the “native state”, C P,N (T) ).…”

Section: Methodsmentioning

confidence: 99%

Biophysical analysis reveals autophosphorylation as an important negative regulator of LRRK2 dimerization

Guaitoli,

Zhang,

Saitta

et al. 2023

Preprint

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Leucine-rich repeat kinase 2 (LRRK2) is a large, multi-domain protein which is associated with Parkinson's disease. Although high-resolution structures of LRRK2 are available, little is known about the complex dynamics behind the inter-domain regulation of LRRK2 and its perturbation by pathogenic variants. Previous studies have demonstrated that LRRK2 goes through an oligomerization cycle at the membrane, however it remains unclear in which form it exerts its kinase activity. Moreover, the LRRK2 monomer-dimer equilibrium and associated functional implications at a molecular level also need further investigation. In the present work, we used a multi-faceted approach to better understand LRRK2 oligomerization and suggest a functional model of how LRRK2 interacts with its substrates. To this end, we combined nano differential scanning calorimetry and mass photometry with molecular modelling. The thermal analysis resulted in a multistep denaturation profile, elucidating novel insights into the composite structural organization of the multi-domain protein LRRK2. Furthermore, LRRK2 shows a remarkable thermal stability, confirming its oligomeric nature. By using mass photometry, we could observe a monomer-dimer equilibrium which is altered by R1441G, a pathogenic variant within the Roc-COR interface. Most importantly, we could demonstrate that autophosphorylation induces LRRK2 monomerization, indicating a novel intramolecular feedback mechanism. Finally, we investigated the interaction of LRRK2 with its substrate, RAB10 by integrative computational modelling. The resulting models suggest that the monomeric form of LRRK2 is the favored protein conformation for the interaction with its substrate, leading to an increasing interest in the monomer-dimer equilibrium as a possible intervention point for the pathology.

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“…Besides, ApisOBP3 in Acyrthosiphon pisum [24], GmolGOBP2 in Grapholita molesta [25] and OBP6 in Meteorus pulchricornis [26] all demonstrated that OBPs could specifically recognize and screen specific chemical signals. Recently, The rapid development of techniques like electrophysiology, RNA interference, and gene knockout has directly revealed the necessity of OBPs for proper functioning in the olfactory system [27][28][29][30].…”

Section: Introductionmentioning

confidence: 99%

The antennal transcriptome analysis and characterizations of odorant-binding proteins in Megachile saussurei (Hymenoptera, Megachilidae)

Li,

Kang,

Zhou

et al. 2023

BMC Genomics

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Background Odorant-binding proteins (OBPs) are essential in insect’s daily behaviors mediated by olfactory perception. Megachile saussurei Radoszkowski (Hymenoptera, Megachilidae) is a principal insect pollinating alfalfa (Medicago sativa) in Northwestern China. The olfactory function have been less conducted, which provides a lot of possibilities for our research. Results Our results showed that 20 OBPs were identified in total. Multiple sequence alignment analysis indicated MsauOBPs were highly conserved with a 6-cysteine motif pattern and all belonged to the classic subfamily, coding 113-196 amino acids and sharing 41.32%-99.12% amino acid identity with known OBPs of other bees. Phylogenetic analysis indicated there were certain homologies existed among MsauOBPs and most sequences were clustered with that of Osmia cornuta (Hymenoptera, Megachilidae). Expression analysis showed the identified OBPs were mostly enriched in antennae instead of other four body parts, especially the MsauOBP2, MsauOBP3, MsauOBP4, MsauOBP8, MsauOBP11 and MsauOBP17, in which the MsauOBP2, MsauOBP4 and MsauOBP8 presented obvious tissue-biased expression pattern. Molecular docking results indicated MsauOBP4 might be the most significant protein in recognizing alfalfa flower volatile 3-Octanone, while MsauOBP13 might be the most crucial protein identifying (Z)-3-hexenyl acetate. It was also found the lysine was a momentous hydrophilic amino acid in docking simulations. Conclusion In this study, we identified and analyzed 20 OBPs of M. saussurei. The certain homology existed among these OBPs, while some degree of divergence could also be noticed, indicating the complex functions that different MsauOBPs performed. Besides, the M. saussurei and Osmia cornuta were very likely to share similar physiological functions as most of their OBPs were clustered together. MsauOBP4 might be the key protein in recognizing 3-Octanone, while MsauOBP13 might be the key protein in binding (Z)-3-hexenyl acetate. These two proteins might contribute to the alfalfa-locating during the pollination process. The relevant results may help determine the highly specific and effective attractants for M. saussurei in alfalfa pollination and reveal the molecular mechanism of odor-evoked pollinating behavior between these two species.

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The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies

Cited by 11 publications

References 76 publications

Anti-Inflammatory and Antimicrobial Properties of Thyme Oil and Its Main Constituents

Anti-Inflammatory and Antimicrobial Properties of Thyme Oil and Its Main Constituents

Biophysical analysis reveals autophosphorylation as an important negative regulator of LRRK2 dimerization

The antennal transcriptome analysis and characterizations of odorant-binding proteins in Megachile saussurei (Hymenoptera, Megachilidae)

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