Investigation of Annonaceae Acetogenins for Inhibition of Dengue Viral Protease using in silico Docking Studies

Abstract

Dengue viruses (DENVs) cause severe and widespread epidemics of diseases such as dengue fever and dengue hemorrhagic fever/dengue shock syndrome. Unfortunately, there is at present neither prophylaxis nor specific treatment to cure the disease and thus it is need of the hour to develop new antiviral therapeutic agents to combat diseases caused by DENV. Non-structural protein NS3 play a major role in the processing of polyprotein and replication of the virus. Inhibitors of NS3/2B may disrupt two separate processes relevant to the suppression of DENV infection. So far many plant derived compounds have been investigated for their possible dengue viral inhibitory property; however, Annonaceae acetogens are not explored for developing inhibitors for dengue viral replication. Hence, in view of this, first we selected two plants reported to contain Acetogens and a library of 15 acetogens present in selected plants was constructed and docked against the NS3 protease to obtain lead molecule. Asiminacin showed the best interaction with the protein. However, their possible inhibitory effect against dengue viral protease can be confirmed by using High Throughput NS3 protease assay.

Keywords: acetogenins, Dengue virus (DENV), protease, molecular docking

Cite this Article

Pooja Karkera, Mangala K.J., Ravikumar Y.S. Investigation of Annonaceae Acetogenins for Inhibition of Dengue Viral Protease using in silico Docking Studies. Research & Reviews: A Journal of Life Sciences. 2019; 9(Issue 1 Special): 47s–52s.