Version 1
: Received: 1 September 2024 / Approved: 2 September 2024 / Online: 3 September 2024 (11:25:25 CEST)
How to cite:
ferrari, I. Amentoflavone and Nilotinib Show Strong Binding and Low Toxicity against HIV-1 Reverse Transcriptase: A Promising Antiretroviral Strategy. Preprints2024, 2024090120. https://doi.org/10.20944/preprints202409.0120.v1
ferrari, I. Amentoflavone and Nilotinib Show Strong Binding and Low Toxicity against HIV-1 Reverse Transcriptase: A Promising Antiretroviral Strategy. Preprints 2024, 2024090120. https://doi.org/10.20944/preprints202409.0120.v1
ferrari, I. Amentoflavone and Nilotinib Show Strong Binding and Low Toxicity against HIV-1 Reverse Transcriptase: A Promising Antiretroviral Strategy. Preprints2024, 2024090120. https://doi.org/10.20944/preprints202409.0120.v1
APA Style
ferrari, I. (2024). Amentoflavone and Nilotinib Show Strong Binding and Low Toxicity against HIV-1 Reverse Transcriptase: A Promising Antiretroviral Strategy. Preprints. https://doi.org/10.20944/preprints202409.0120.v1
Chicago/Turabian Style
ferrari, I. 2024 "Amentoflavone and Nilotinib Show Strong Binding and Low Toxicity against HIV-1 Reverse Transcriptase: A Promising Antiretroviral Strategy" Preprints. https://doi.org/10.20944/preprints202409.0120.v1
Abstract
In this preliminary investigation, a concise molecular docking study using the Pyrx program screened thousands of compounds against the active site of HIV-1 reverse transcriptase. The Virtual Screening library was employed to assess binding energetics scores, focusing on identifying candidates with high Vina Scores. Eight compounds, including Tetrophan, Imatinib, Amentoflavone, Alprazolam, Bilobetin, Bafetinib, Nilotinib, and Ginketin, emerged as promising candidates with significant binding energies.Recognizing compounds that strongly bind to HIV-1 reverse transcriptase holds potential for antiretroviral drug development in the fight against HIV infection. Subsequently, the study evaluated the toxicity properties of these candidates using pKCSM. Amentoflavone, a natural biflavonoid found in Ginkgo biloba and Nilotinib, a tyrosine kinase inhibitor, demonstrated lower overall toxicity profiles compared to other candidates. Further toxicity analysis using Pro-Tox-II revealed Amentoflavone's higher predictive LD50, lower toxicity class, and reduced probabilities of hepatotoxicity, carcinogenicity, mutagenicity, and moderate immunotoxicity compared to Nilotinib. While Nilotinib, a pharmaceutical drug, exhibited higher probabilities of adverse effects in these categories. In summary, Amentoflavone and Nilotinib present as promising candidates with lower toxicity concerns. Amentoflavone, as a natural substance, showcases a more favorable toxicity profile than Nilotinib, offering valuable insights for potential therapeutic applications.
Biology and Life Sciences, Immunology and Microbiology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
