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Rapid Screening of HIV Reverse Transcriptase and Integrase Inhibitors
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Identification and Optimization of a Novel HIV-1 Integrase Inhibitor.

Daniel Adu-Ampratwum1, Yuhan Pan2, Pratibha C Koneru3

  • 1Division of Medicinal Chemistry & Pharmacognosy, College of Pharmacy, The Ohio State University, Columbus, Ohio 43210, United States.

ACS Omega
|February 14, 2022
PubMed
Summary
This summary is machine-generated.

Researchers discovered a novel small-molecule scaffold targeting human immunodeficiency virus-1 (HIV-1) integrase (IN). This finding offers a promising new avenue for developing antiviral agents to combat HIV-1 infection and complement existing therapies.

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Area of Science:

  • Virology
  • Medicinal Chemistry
  • Drug Discovery

Background:

  • Human immunodeficiency virus-1 (HIV-1) integrates its DNA into host chromatin via viral integrase (IN), enabling permanent infection and making IN a critical replication target.
  • IN also plays a role in virion maturation, further highlighting its importance as a therapeutic target.
  • Existing inhibitors include integrase strand transfer inhibitors (INSTIs) and allosteric integrase inhibitors (ALLINIs).

Purpose of the Study:

  • To identify novel chemical scaffolds targeting the multifunctional HIV-1 integrase (IN) through a high-throughput screen (HTS).
  • To discover inhibitors effective against both wild-type and resistant IN variants.
  • To develop a new platform for potent antiviral agents against HIV-1.

Main Methods:

  • Conducted a high-throughput screen (HTS) of approximately 370,000 compounds using a homogeneous time-resolved fluorescence assay.
  • Identified and characterized novel IN inhibitor scaffolds, including compound 12 and its derivatives.
  • Performed structure-activity relationship (SAR) studies and optimized lead compounds, such as compound 22.

Main Results:

  • Discovered novel chemical scaffolds distinct from current INSTIs and ALLINIs, including compound 12.
  • Developed derivative 14e, which inhibited catalytic activities of wild-type and resistant IN mutants.
  • Optimized compound 22 demonstrated an antiviral EC50 of ~58 μM and a selectivity index >8500.

Conclusions:

  • Identified a novel small-molecule scaffold for inhibiting HIV-1 IN.
  • The discovered compounds show potential against drug-resistant IN variants.
  • This novel scaffold represents a promising platform for developing next-generation HIV-1 antiviral therapies.