0974-4150 (Online)
0974-4169 (Print)

Author(s): Sathish Kumar Mittapalli, J N Narendra Sharath Chandra, Jay Prakash Soni, Ram Babu Tripathi, Iffath Rizwana


DOI: 10.52711/0974-4150.2024.00004   

Address: Sathish Kumar Mittapalli1*, J N Narendra Sharath Chandra2, Jay Prakash Soni1, Ram Babu Tripathi1, Iffath Rizwana2
1Department of Pharmaceutical Chemistry, Amity Institute of Pharmacy, Amity University, Gwalior, Madhya Pradesh, India 474020.
2Dean, School of Pharmacy G H Raisoni University, Amravati, Maharashtra, India 444701.
3Department of Pharmaceutical Chemistry, Deccan School of Pharmacy,
Nampally, Hyderabad, Telangana, India 500012.
*Corresponding Author

Published In:   Volume - 17,      Issue - 1,     Year - 2024

More than 100 nations in Africa, the Americas and the Eastern Mediterranean have endemic dengue and malaria, and these bites have the potential to have inflammatory or infectious local or systemic effects. The mosquito repellents from various sources were examined and plant repellents, researchers frequently exaggerate toxicity of the mentioned compound, alleging that it poses a threat to human health or even the environment and reported by recent studies. The aim of the research article, the historical developmental strategies of synthetics and natural and those acts on certain targets as repellent property, target discovery aims to identify and validate appropriate pharmacological targets for therapeutic interventions and establishment of correlations between the molecule and its potency as repellent using various physicochemical parameters and in silico studies. From this study proved that some of the natural compounds were potent in comparison with the some of the standard insect repellents and the paradigm offers a wide variety of prospects that will fasten the lead molecular modifications influences the novel targets and ultimately result in the optimization of the molecular properties by considering the all the methodologies leads to design novel molecules.

Cite this article:
Sathish Kumar Mittapalli, J N Narendra Sharath Chandra, Jay Prakash Soni, Ram Babu Tripathi, Iffath Rizwana. Virtual Screening and Pharmacophore Modeling for discovery of Biologically Active Natural Products as Inhibitors of Odorant-binding Proteins. Asian Journal of Research in Chemistry. 2024; 17(1):17-4. doi: 10.52711/0974-4150.2024.00004

Sathish Kumar Mittapalli, J N Narendra Sharath Chandra, Jay Prakash Soni, Ram Babu Tripathi, Iffath Rizwana. Virtual Screening and Pharmacophore Modeling for discovery of Biologically Active Natural Products as Inhibitors of Odorant-binding Proteins. Asian Journal of Research in Chemistry. 2024; 17(1):17-4. doi: 10.52711/0974-4150.2024.00004   Available on:

1.    Tolle MA. Mosquito-borne diseases. Current problems in pediatric and adolescent health care. 2009;39(4):97-140.
2.    Michel K, Kafatos FC. Mosquito immunity against Plasmodium. Insect Biochemistry and Molecular Biology. 2005; 35(7):677-89.
3.    Weaver SC. Prediction and prevention of urban arbovirus epidemics: A challenge for the global virology community. Antiviral Research. 2018; 156: 80-4.
4.    Zanotto PM, Leite LC. The challenges imposed by Dengue, Zika, and Chikungunya to Brazil. Frontiers in Immunology. 2018; 9: 1964.
5.    Brown M, Hebert AA. Insect repellents: an overview. Journal of the American Academy of Dermatology. 1997; 36(2): 243-9.
6.    King AL, Mirza FN, Mirza HN, Yumeen N, Lee V, Yumeen S. Factors associated with the American Academy of Dermatology abstract publication: A multivariate analysis. Journal of the American Academy of Dermatology. 2022; 86(6): 1416-9.
7.    Bickers DR, Lim HW, Margolis D, Weinstock MA, Goodman C, Faulkner E, Gould C, Gemmen E, Dall T. The burden of skin diseases: 2004: A joint project of the American Academy of Dermatology Association and the Society for Investigative Dermatology. Journal of the American Academy of Dermatology. 2006; 55(3): 490-500.
8.    Gilchrest BA. Skin aging and photoaging: an overview. Journal of the American Academy of Dermatology. 1989; 21(3): 610-3.
9.    Drake LA, Yale KP, Lowery BJ, Dunbar AL, Gillies R. American Academy of Dermatology guidelines of care: development and process. Archives of dermatology. 1997; 133(11): 1369-74. doi:10.1001/archderm.1997.03890470043007
10.    Katz TM, Miller JH, Hebert AA. Insect repellents: historical perspectives and new developments. Journal of the American Academy of Dermatology. 2008; 58(5): 865-71.
11.    Mehr ZA, Rutledge LC, Buescher MD, Gupta RK, Zakaria MM. Attraction of mosquitoes to diethyl methyl benzamide and ethyl hexanediol. J. Am. Mosq. Control Assoc. 1990; 6: 469-76.
12.    Costantini C, Badolo A, Ilboudo-Sanogo E. Field evaluation of the efficacy and persistence of insect repellents DEET, IR3535, and KBR 3023 against Anopheles gambiae complex and other Afrotropical vector mosquitoes. Transactions of the Royal Society of Tropical Medicine and Hygiene. 2004; 98(11): 644-52.
13.    Bohbot JD, Dickens JC. Insect repellents: modulators of mosquito odorant receptor activity. PLoS One. 2010; 5(8): e12138.
14.    Drapeau J. Insect Repellents Based on para-Menthane-3, 8-diol (Doctoral dissertation).10.5283/epub.36491
15.    Ujihara K, Mori T, Iwasaki T, Sugano M, Shono Y, Matsuo N. Metofluthrin: a potent new synthetic pyrethroid with high vapor activity against mosquitoes. Bioscience, Biotechnology, and Biochemistry. 2004; 68(1): 170-4.
16.    Ellwanger JH, da Cruz Cardoso J, Chies JA. Variability in human attractiveness to mosquitoes. Current Research in Parasitology and Vector-borne Diseases. 2021; 1:100058.
17.    Das R, Pal P, Bhutia S. Pharmacognostical characterization and formulation of herbal-based low-cost mosquito repellents from Elettaria cardamomum (Linn.) seed by using natural binder. Future Journal of Pharmaceutical Sciences. 2021; 7(1): 1-0.
18.    Mapossa AB, Focke WW, Tewo RK, Androsch R, Kruger T. Mosquito‐repellent controlled‐release formulations for fighting infectious diseases. Malaria Journal. 2021; 20: 1-33.
19.    Feuser ZP, Colonetti T, Grande AJ, Uggioni ML, Roever L, da Rosa MI. Efficacy of the DEET, IR3535, and picaridin topical use against Aedes Aegypti: Systematic review. Infectious Diseases in Clinical Practice. 2020; 28(6): 327-41. DOI: 10.1097/IPC.0000000000000875
20.    WHO G. Report of the WHO Informal Consultation on the Evaluation and Testing of Insecticides. World Health Organization Geneva. 1996; 10:1026-32.
21.    Fernandes MR, Lopes LC, Iwami RS, Paglia MD, de Castilho BM, de Oliveira AM, Fulone I, Leite RS, de Cássia Bergamaschi C. Efficacy and safety of repellents marketed in Brazil against bites from Aedes aegypti and Aedes albopictus: a systematic review. Travel Medicine and Infectious Disease. 2021; 44:102179.
22.    Lupi E, Hatz C, Schlagenhauf P. The efficacy of repellents against Aedes, Anopheles, Culex and Ixodes spp.–A literature review. Travel Medicine and Infectious Disease. 2013; 11(6): 374-411.
23.    Curtis CF, Lines JD, Ijumba J, Callaghan A, Hill N, Karimzad MA. The relative efficacy of repellents against mosquito vectors of disease. Medical and Veterinary Entomology. 1987; 1(2): 109-19.
24.    Maia MF, Moore SJ. Plant-based insect repellents: a review of their efficacy, development, and testing. Malaria Journal. 2011; 10(1): 1-5.
25.    Mponzi WP, Swai JK, Kaindoa EW, Kifungo K, Eiras AE, Batista EP, Matowo NS, Sangoro PO, Finda MF, Mmbando AS, Gavana T. Observing the distribution of mosquito bites on humans to inform personal protection measures against malaria and dengue vectors. Plos One. 2022; 17(7): e0271833.
26.    Yadav NP, Rai VK, Mishra N, Sinha P, Bawankule DU, Pal A, Tripathi AK, Chanotiya CS. A novel approach for development and characterization of effective mosquito repellent cream formulation containing citronella oil. BioMed Research International. 2014; 2014.
27.    Butylacetylaminopropionate. WHO Specifications and Evaluations for Public Health Pesticides.
28.    World Health Organization. Guidelines for procuring public health pesticides. World Health Organization; 2012.
29.    Fink P, Moelzner J, Berghahn R, von Elert E. Do insect repellents induce drift behaviour in aquatic non-target organisms-Water Research. 2017; 108: 32-8.
30.    Schwingl PJ, Lunn RM, Mehta SS. A tiered approach to prioritizing registered pesticides for potential cancer hazard evaluations: implications for decision making. Environmental Health. 2021; 20:1-4.
31.    Zartarian V, Xue J, Glen G, Smith L, Tulve N, Tornero-Velez R. Quantifying children's aggregate (dietary and residential) exposure and dose to permethrin: application and evaluation of EPA's probabilistic SHEDS-Multimedia model. Journal of Exposure Science and Environmental Epidemiology. 2012; 22(3): 267-73.
32.    Naidenko OV. Application of the food quality protection act children’s health safety factor in the US EPA pesticide risk assessments. Environmental Health. 2020; 19(1): 1-5.
33.    Macedo PA, Peterson RK, Davis RS. Risk assessments for exposure of deployed military personnel to insecticides and personal protective measures used for disease-vector management. Journal of Toxicology and Environmental Health, Part A. 2007; 70(20): 1758-71.
34.    Rehan M, Abdel-Wahed NA, Farouk A, El-Zawahry MM. Extraction of valuable compounds from orange peel waste for advanced functionalization of cellulosic surfaces. ACS Sustainable Chemistry and Engineering. 2018; 6(5): 5911-28.
35.    Kumar A, Kanwar R, Mehta SK. Recent development in essential oil-based nanocarriers for eco-friendly and sustainable agri-food applications: a review. ACS Agricultural Science and Technology. 2022; 2(5): 823-37.
36.    Kumari S, Pundhir S, Priya P, Jeena G, Punetha A, Chawla K, Firdos Jafaree Z, Mondal S, Yadav G. EssOilDB: a database of essential oils reflecting terpene composition and variability in the plant kingdom. Database. 2014; 2014: bau120.
37.    Dangi K, Verma AK. Efficient and eco-friendly smart nano-pesticides: Emerging prospects for agriculture. Materials Today: Proceedings. 2021; 45: 3819-24.
38.    Raguvaran K, Kalpana M, Manimegalai T, Maheswaran R. Insecticidal, not-target organism activity of synthesized silver nanoparticles using Actinokineospora fastidiosa. Biocatalysis and Agricultural Biotechnology. 2021; 38: 102197.
39.    Bank R P D RCSB PDB - 3N7H: Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) with DEET (N, N-Diethyl-meta-toluamide) and PEG
40.    Bank R P D RCSB PDB - 3OGN: Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
41.    Althaus E, Kohlbacher O, Lenhof HP, Müller P. A combinatorial approach to protein docking with flexible sidechains. In Proceedings of the fourth annual international conference on Computational molecular Biology 2000; 15-24.
42.    Comeau SR, Gatchell DW, Vajda S, Camacho CJ. ClusPro: a fully automated algorithm for protein–protein docking. Nucleic acids Research. 2004; 32(suppl_2): W96-9.
43.    Huey R, Morris GM, Forli S. Using AutoDock 4 and AutoDock vina with AutoDockTools: a tutorial. The Scripps Research Institute Molecular Graphics Laboratory. 2012; 10550(92037): 1000.
44.    Tsitsanou KE, Thireou T, Drakou CE, Koussis K, Keramioti MV, Leonidas DD, Eliopoulos E, Iatrou K, Zographos SE. Anopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellents. Cellular and Molecular Life Sciences. 2012; 69: 283-97.
45.    Mcmartin C, Bohacek RS. QXP: powerful, rapid computer algorithms for structure-based drug design. Journal of Computer-Aided Molecular Design. 1997; 11: 333-44 .
46.    Biovia DS. Discovery studio modelling environment, release 2017, San Diego: Dassault Systems, 2016.
47.    Daina A, Michielin O, Zoete V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness, and medicinal chemistry friendliness of small molecules. Scientific Reports. 2017; 7(1): 42717.

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