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877 results
  • Discovery of Novel HIV Protease Inhibitors Using Modern Computational Techniques. [Journal Article]
    Int J Mol Sci. 2022 Oct 12; 23(20)Okafor SN, Angsantikul P, Ahmed H
  • The human immunodeficiency virus type 1 (HIV-1) has continued to be a global concern. With the new HIV incidence, the emergence of multi-drug resistance and the untoward side effects of currently used anti-HIV drugs, there is an urgent need to discover more efficient anti-HIV drugs. Modern computational tools have played vital roles in facilitating the drug discovery process. This research focuse…
  • In silico analysis of SARS-CoV-2 proteins as targets for clinically available drugs. [Journal Article]
    Sci Rep. 2022 03 29; 12(1):5320.Chan WKB, Olson KM, … Traynor JR
  • The ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) requires treatments with rapid clinical translatability. Here we develop a multi-target and multi-ligand virtual screening method to identify FDA-approved drugs with potential activity against SARS-CoV-2 at traditional and understudied viral targets. 1,268 FDA-approved small molecule drugs were docked to 4…
  • A New, Rapid and Simple RP-HPLC Method for Stability Quantification of a Protease Inhibitor in Tablets. [Journal Article]
    J Chromatogr Sci. 2022 Sep 03; 60(7):671-677.Rossi RC, Moura JGL, … Fröehlich PE
  • Fosamprenavir calcium is a protease inhibitor widely used in the treatment and prevention of human immunodeficiency virus and acquired immunodeficiency syndrome. This protease inhibitor serves as a prodrug of amprenavir, offering better oral bioavailability. Although this drug was approved by the FDA in 2003, there are few methods established for quantifying the stability for quality control anal…
  • Biomedical Text Link Prediction for Drug Discovery: A Case Study with COVID-19. [Journal Article]
    Pharmaceutics. 2021 May 26; 13(6)McCoy K, Gudapati S, … Mitchell CS
  • Link prediction in artificial intelligence is used to identify missing links or derive future relationships that can occur in complex networks. A link prediction model was developed using the complex heterogeneous biomedical knowledge graph, SemNet, to predict missing links in biomedical literature for drug discovery. A web application visualized knowledge graph embeddings and link prediction res…
  • Identification of potential antivirals against SARS-CoV-2 using virtual screening method. [Journal Article]
    Inform Med Unlocked. 2021; 23:100531.Rahman MR, Banik A, … Sarkar S
  • SARS-CoV-2 has triggered a major epidemic among people around the world, and it is the newest in the sequence to become prevalent among other infectious diseases. The drug repurposing concept has been utilized effectively for numerous viral infections. Considering the situation and the urgency, the idea of drug repurposing for coronavirus infection (COVID-19) is also being studied. The molecular …
  • Development of multipurpose recombinant reporter bovine leukemia virus. [Journal Article]
    Virology. 2020 09; 548:226-235.Murakami H, Yajima Y, … Tsukamoto K
  • Bovine leukemia virus (BLV) is a global problem that results in significant economic losses to the livestock industry. We developed three virus strains by inserting the HiBiT reporter tag from NanoLuc luciferase (NLuc) into limited sites within BLV molecular clones. Initial analysis for site selection of the tag insertion revealed a permissible site immediately downstream of the viral envelope ge…
  • A facile Q-RT-PCR assay for monitoring SARS-CoV-2 growth in cell culture. [Preprint]
    bioRxiv. 2020 Jun 28Mugisha CS, Vuong HR, … Kutluay SB
  • Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the etiological agent of the ongoing COVID-19 pandemic, has infected millions within just a few months and is continuing to spread around the globe causing immense respiratory disease and mortality. Assays to monitor SARS-CoV-2 growth depend on time-consuming and costly RNA extraction steps, hampering progress in basic research and dru…
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