Possible Antiviral effects of Neem (Azadirachta indica) on Dengue virus

Dengue virus (DENV) has become a major health threat worldwide accounting for 50-100 million infections every year and keeping 2.5 billion people at a risk of the infection. Seriousness of the viral infection can be attributed to its lethality when not treated in time and potential to cause health complications post infection. Currently there are only preventive strategies and development of vaccination is still in its infancy of research. It is therefore highly necessary to discover newer drugs and therapies for this deadly virus. In this paper we report important insights we have obtained through a computational analysis of small molecules of Neem (Azadirachta indica) against dengue viral proteins and its required proteins in human. Our study involves identification of the effect of specific small molecules of Neem on proteins of human and virus corresponding to different pathways using simulated molecular binding analyses. We report here Gedunin and Pongamol contained in naturally occurring Neem as potential drugs against the Dengue virus. Significance StatementWe report important ligands in Neem that have potential antiviral activity against Dengue. Our selection of Neem for testing for antiviral properties has been inspired from Ayurveda. Due to unhygienic living conditions that facilitate mosquito breeding, Dengue is a major threat in developing countries causing millions of deaths. Despite the severity of the infection, no specific antiviral drug is available. The results obtained, in terms of newer potential ligands against Dengue are significant as this provides a basis for experimentally verifying and extending the same to develop a cure.We hope that this study would would spur scientific curiosity and undertaking of further elaborate experimental studies.