scholarly journals Exploring the Potentiality of Natural Products from Essential Oils as Inhibitors of Odorant-Binding Proteins: A Structure- and Ligand-Based Virtual Screening Approach To Find Novel Mosquito Repellents

ACS Omega ◽  
2019 ◽  
Vol 4 (27) ◽  
pp. 22475-22486 ◽  
Author(s):  
Kauȇ Santana da Costa ◽  
João Marcos Galúcio ◽  
Clauber Henrique Souza da Costa ◽  
Amanda Ruslana Santana ◽  
Vitor dos Santos Carvalho ◽  
...  
Keyword(s):  
Natural Products ◽  
Virtual Screening ◽  
Essential Oils ◽  
Binding Proteins ◽  
Odorant Binding Proteins ◽  
Screening Approach ◽  
Mosquito Repellents ◽  
Odorant Binding ◽  
Virtual Screening Approach

scholarly journals In Silico Molecular Modeling & Docking of Phytochemical Compounds with Odorant Binding Proteins (OBP1) of Culex Quinquefasciatus.

2019 ◽  
Vol 9 (2) ◽  
pp. 2847-2851
Keyword(s):  
Culex Quinquefasciatus ◽  
Binding Proteins ◽  
Binding Energies ◽  
Human Beings ◽  
Mosquito Repellent ◽  
Odorant Binding Proteins ◽  
Insect Repellents ◽  
Phytochemical Compounds ◽  
Mosquito Repellents ◽  
Odorant Binding

Malaria, Dengue Fever, West Nile Encephalities, Sleeping Sickness, Leishmaniasis, Japanese encephalitis (JE) are the widest large range of diseases causing highest mortality to human beings at Global level and they belong to the group Vector borne diseases (VBD). It is estimated that more than one million deaths were happening every year mostly in tropical regions of South America, Africa & Asia due to these vectors i.e., mosquitoes and mites, which are main disease transporting vectors from one host to another. A remarkable effort has been made to develop various types of insecticides and insect repellents. To control VBD, a bio-defense strategy methods have been employed which were found to be more costly and labour intensive, recurring and time consuming. A new class of repellents were made based on structure based rational approaches of ligand molecules based binding efficiencies with Odorant binding proteins (OBPs) or other olfaction inhibitory compounds with attractive characteristics. But, with very limited knowledge available to screen photo-chemical compounds to design novel mosquito repellents employing a very high-throughput Insilco computational biology methods. Therefore, in this context, we attempted to screen out 3 phytochemicals from different plants exhibiting mosquito repellent activities reported from published literature and various public domains & molecular docking studies, aiming at the Odorant Binding Proteins of Culex quinquefasciatus. The N, N-Diethyl-m-toluamide (DEET) was widely used mosquito repellent chemical chosen as standard reference to validate the binding affinities and specificities of selected compounds aligned with Odoront Binding Proteins. A total of such 50 compounds including DEET were docked against the active site of OBT models or Crystal Structures using AutoDock. Among 5 phytochemical compounds, sum of 3 compounds have resulted in high affinity binding energies & high no of hydrogen-bonds as compared to standard reference of DEET. Among the selected Citronellol, Saponin, and Azadirachtin, are showing the highest docking scores which secure to develop more effective and safer mosquito repellents in future prospect.

scholarly journals Variant A of the Deformed Wings Virus Alters the Olfactory Sensitivity and the Expression of Odorant Binding Proteins on Antennas of Apis mellifera

Insects ◽  
2021 ◽  
Vol 12 (10) ◽  
pp. 895
Author(s):  
Diego Silva ◽  
Ricardo Ceballos ◽  
Nolberto Arismendi ◽  
Anne Dalmon ◽  
Marisol Vargas
Keyword(s):  
Apis Mellifera ◽  
Essential Oils ◽  
Binding Proteins ◽  
Mentha Piperita ◽  
Olfactory Sensitivity ◽  
Negative Effects ◽  
Deformed Wing Virus ◽  
Odorant Binding Proteins ◽  
Sense Of Smell ◽  
Odorant Binding

Insects have a highly sensitive sense of smell, allowing them to perform complex behaviors, such as foraging and peer recognition. Their sense of smell is based on the recognition of ligands and is mainly coordinated by odorant-binding proteins (OBPs). In Apis mellifera, behavior can be affected by different pathogens, including deformed wing virus (DWV) and its variants. In particular, it has been shown that variant A of DWV (DWV-A) is capable of altering the ultra-cellular structure associated with olfactory activity. In this study was evaluated olfactory sensitivity and the expression of OBP genes in honey bees inoculated with DWV-A. Electroantennographic analyses (EAG) were carried out to determine the olfactory sensitivity to the essential oils Eucalyptus globulus and Mentha piperita. The expression of nine antenna-specific OBP genes and DWV-A load in inoculated bees was also quantified by qPCR. We observed an inverse relationship between viral load and olfactory sensitivity and the expression of some OBP proteins. Thus, high viral loads reduced olfactory sensitivity to essential oils and the gene expression of the OBP2, OBP5, OBP11, and OBP12 proteins on the antennas of middle- and forager-age bees. These results suggest that DWV-A could have negative effects on the processes of aroma perception by worker bees, affecting their performance in tasks carried out in and outside the colony.

scholarly journals Identification and functional characterization of odorant-binding proteins 69a and 76a of Drosophila suzukii

Heliyon ◽  
2021 ◽  
Vol 7 (3) ◽  
pp. e06427
Author(s):  
Haixia Zhan ◽  
Du Li ◽  
Youssef Dewer ◽  
Changying Niu ◽  
Fengqi Li ◽  
...  
Keyword(s):  
Binding Proteins ◽  
Functional Characterization ◽  
Drosophila Suzukii ◽  
Odorant Binding Proteins ◽  
Odorant Binding

Identification and expression profiles analysis of odorant‐binding proteins in soybean aphid, Aphis glycines (Hemiptera: Aphididae)

2019 ◽  
Vol 27 (5) ◽  
pp. 1019-1030 ◽  
Author(s):  
Ling Wang ◽  
Ying‐Dong Bi ◽  
Ming Liu ◽  
Wei Li ◽  
Miao Liu ◽  
...  
Keyword(s):  
Binding Proteins ◽  
Expression Profiles ◽  
Soybean Aphid ◽  
Aphis Glycines ◽  
Odorant Binding Proteins ◽  
Odorant Binding

Structure-based virtual screening and ADME/T-based profiling for low molecular weight chemical starting points as p21-activated kinase 4 inhibitors

RSC Advances ◽  
2015 ◽  
Vol 5 (30) ◽  
pp. 23202-23209 ◽  
Author(s):  
Ruijuan Li ◽  
Xiaolin Su ◽  
Zheng Chen ◽  
Wanxu Huang ◽  
Yali Wang ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Virtual Screening ◽  
Chemical Modification ◽  
Low Molecular Weight ◽  
Screening Approach ◽  
P21 Activated Kinase ◽  
Virtual Screening Approach

Novel PAK4 inhibitors were discovered using structure-based virtual screening approach for further chemical modification.

scholarly journals Identification of Previously Unrecognized Antiestrogenic Chemicals Using a Novel Virtual Screening Approach

2006 ◽  
Vol 19 (12) ◽  
pp. 1595-1601 ◽  
Author(s):  
Ching Y. Wang ◽  
Ni Ai ◽  
Sonia Arora ◽  
Karthigeyan Nagarajan ◽  
Randy Zauhar ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Screening Approach ◽  
Virtual Screening Approach

scholarly journals Pheromone Binding to General Odorant-binding Proteins from the Navel Orangeworm

2010 ◽  
Vol 36 (7) ◽  
pp. 787-794 ◽  
Author(s):  
Zhao Liu ◽  
Diogo M. Vidal ◽  
Zainulabeuddin Syed ◽  
Yuko Ishida ◽  
Walter S. Leal
Keyword(s):  
Binding Proteins ◽  
Navel Orangeworm ◽  
Odorant Binding Proteins ◽  
Odorant Binding
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