Virtual Screening and Pharmacophore Modeling for discovery of Biologically Active Natural Products as Inhibitors of Odorant-binding Proteins

• Published in: Asian Journal of Research in Chemistry Vol. 17; no. 1; pp. 17 - 24
• Main Authors: Kumar Mittapalli, Sathish, Sharath Chandra, J N Narendra, Prakash Soni, Jay, Babu Tripathi, Ram, Rizwana, Iffath
• Format: Journal Article
• Language: English
• Published: Raipur A&V Publications 22.02.2024
• Subjects: Allergies; Aquatic insects; Blood pressure; Cancer; Crystal structure; Decades; Infections; Insects; Invertebrates; Malaria; Medical research; Molecular properties; Morbidity; Mortality; Mosquitoes; Natural products; Proteins; Repellents; Skin; Toxicity; Tropical diseases; Vector-borne diseases; Viral infections; Zika virus
• ISSN: 0974-4169; 0974-4150
• DOI: 10.52711/0974-4150.2024.00004

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.