In Silico Elucidation of Potent Inhibitors from Natural Products for Nonstructural Proteins of Dengue Virus

Medicinal plants have been used from the beginning of human civilization against various health complications. Dengue virus (DENV) has emerged as one most widespread viruses in tropical and subtropical countries. Yet no clinically approved antiviral drug is available to combat DENV infection. Consequently, search for novel antidengue agents medicinal assumed more insistence than previous days. This study focused on 31 potential molecules secondary metabolites examine their inhibitory activity nonstructural proteins through molecular docking pharmacokinetics studies. In this research, wet lab experiments were tested a computational platform. Agathisflavone pectolinarin are top-scored inhibitors NS2B/NS3 protease NS5 polymerase, respectively. Epigallocatechin gallate, Pinostrobin, Panduratin A, Pectolinarin could be lead compounds protease, while acacetin-7-O-rutinoside polymerase. Moreover, agathisflavone (LD50= 1430 mg/kg) 5000 exhibited less toxicity nelfinavir 600 balapiravir (LD50 = 824 mg/kg), reference drugs. Further research clinical trials required analyze therapeutic efficacy these develop new candidates different serotypes DENV.