Aplidine, a Marine Natural Product Inhibits HIV-1 Entry and Its Replicating Enzymes by in silico Virtual Screening
AIDS is causing by infection of HIV, it is the deadliest and fear causing disease in the world and is rapidly expanding across the world. HIV infection has caused serious leads to many complications ultimately suppress the immune system of human. There are currently many antiviral synthetic agents are being practicing to treat or prevent HIV infection. Most of the available synthetic drugs are mainly used to inhibit the replication of the HIV. In the present work, we have carried out an in silico search of aplidine, a natural marine drug for anti-HIV viral agent. We have used 35 HIV-1 replicating enzymes and proteins against aplidine to know their molecular interactions to find out as potent drug. The aplidine have shown highest docking energy HIV-1 GP120 (-136.25) with followed by the crystal structure of the Prototype Foamy Virus (PFV) intasome in complex (-126.65), HIV-1 gp120 core complexed with CD4 and a neutralizing human antibody (-123.72), the structural studies of HIV-1 TAT protein (-121.69), HIV-RT (-118.4), crystal structure of HIV-1 JR-FL gp120 core protein (-117.47), structure of the native full-length HIV-1 capsid protein (-114.14), structure of HIV-1 capsid protein (-110.62). The less interactions was observed with immature retroviral capsid (-35.47), HIV-1 capsid protein (-52.18), ribonuclease H domain of HIV-1 reverse transcriptase (-87.56) and native full-length HIV-1 capsid protein (85.27) by aplidine. The aplidine have drug-like properties have exhibited remarkable docking profiles to all most all HIV-1 enzymes/ protein targets and it is relatively common herbal medicine, suggesting promise promising natural product and inexpensive HIV-1 therapy for this emerging global disease.
HIV-1, Aplidine, Molecular Docking, Natural Product
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