Abstract
Viral diseases have remained a major global threat regardless of significant advances in therapeutic and treatment strategies. The advancement of viral resistance to drugs, along with several side effects, has resulted in critical medical issues, especially when administered in combination for extended treatment periods. Natural product-based therapies for the health of humans are associated with lower toxicity and fewer side effects. Virtual in-silico screening has been shown to be effective in addressing the unique challenges of antiviral drug development, making the process quicker, safer and less expensive. Novel ligands are evolving as potential agents, which are efficient in blocking virus–cell fusion to surpass the main disadvantages of traditional Highly Active Antiretroviral (HAART) drugs used in HIV-1 infection. The plant Gymnema sylvestre contains various bioactive compounds with medicinal properties. The HIV entry process can be blocked during the binding activity of glycoprotein gp120 viral envelope to one of the two receptors CXCR4 or CCR5 and binding to both the CD4 receptors. The significance of chemokine receptors as an anti- HIV target depends on the fact that they are involved in the entry of the virus into the cell at the early stages. Thus, the HIV/coreceptor relationship has emerged as a key focus for developing new antiviral strategies for the prevention and also treatment of HIV infection. In the present study, the phytochemicals selected from Gymnema sylvestre were subjected to ADME analysis. This was followed by the molecular docking analysis and MD simulation to estimate the selected ligands drug likeness, which may serve as new leads for the cure of HIV-1 infections.
Published Version
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