Engineering Small Molecules to Bind the Interprotomer Pocket of the Capsid Hexamer in the Treatment of HIV-1
Madison A. Wilkins
Background: Human immunodeficiency virus (HIV) infects immune cells, ultimately resulting in a decrease in the number of CD4+ T-cells and systemic immune failure in infected individuals.1 HIV type 1 (HIV-1) is the predominant form of the virus in the United States.2 Currently, antiretroviral treatments for HIV-1 include reverse transcriptase inhibitors, protease inhibitors, and integrase strand inhibitors.3 However, patients are often required to take multiple pills at specific times throughout the day, leading to medication fatigue. Medication fatigue leads to poor long-term adherence to these treatment regimens, leading to the emergence of resistant strains of the virus and reduced treatment efficacy. This phenomenon has encouraged the exploration of a class of molecules which target the HIV-1 capsid hexamer and have potential for long-term subcutaneous dosing to improve treatment adherence in patients with HIV-1.2,4
Objective: In this narrative review, we explored the commonalities and therapeutic potentials of a new class of drugs designed to target the HIV-1 capsid hexamer.
Search Methods: An online search in the PubMed database was conducted from 2020-2024 using the following keywords: “HIV-1”, “capsid inhibitor”, and “small molecule”.
Results: Studies indicate that recently developed capsid protein inhibitors (GS-CA1, GS-6207, and Q-c4) bind a highly conserved site on the capsid hexamer known as the interprotomer pocket.5,6,7 This site is an effective drug target because viral mutants with non-conserved mutations at this site display no infectivity due to abnormal morphology of the capsid hexamer.8 It was found that capsid inhibitors display potential as treatment options for heavily treatment experienced individuals with HIV-1 because they remain effective against known viral mutants and produce mutants with reduced infectivity.5,6 Finally, it was found that GS-CA1 displayed low hepatic clearance in primary human hepatocytes and showed sustained drug release at all subcutaneously administered doses without bursts or rapid release in rats and dogs.6,9 These studies indicate that capsid inhibitors have potential for long-acting subcutaneous dosing.
Conclusions: Studies have found that molecules which bind the interprotomer pocket of the HIV-1 capsid hexamer display promise as treatment options for individuals with heavily treatment experienced HIV-1. Additionally, due to their superb pharmacokinetic properties, these small molecules have potential for long-acting subcutaneous dosing to reduce medication fatigue and improve treatment adherence in persons with HIV-1.
Works cited:
- Dwivedi R, Prakash P, Kumbhar BV, Balasubramaniam M, Dash C. HIV-1 capsid and viral DNA integration. mBio. 2024;15(1):e00212-22. doi:10.1128/mbio.00212-22
- Saag MS. HIV Infection — Screening, Diagnosis, and Treatment. New England Journal of Medicine. 2021;384(22):2131-2143. doi:10.1056/NEJMcp1915826
- Giacomelli A, Pezzati L, Rusconi S. The crosstalk between antiretrovirals pharmacology and HIV drug resistance. Expert Review of Clinical Pharmacology. 2020/07/02 2020;13(7):739-760. doi:10.1080/17512433.2020.1782737
- Dvory-Sobol H, Shaik N, Callebaut C, Rhee MS. Lenacapavir: a first-in-class HIV 1 capsid inhibitor. Current Opinion in HIV and AIDS. 2022;17(1):15-21. doi:10.1097/coh.0000000000000713
- Yant SR, Mulato A, Hansen D, et al. A highly potent long-acting small-molecule HIV-1 capsid inhibitor with
efficacy in a humanized mouse model. Nature Medicine. 2019/09/01 2019;25(9):1377-1384.
doi:10.1038/s41591-019-0560-x - Link JO, Rhee MS, Tse WC, et al. Clinical targeting of HIV capsid protein with a long-acting small molecule.
2020;584(7822):614-618. doi:10.1038/s41586-020-2443-1 - Zhang X, Sun L, Meuser ME, et al. Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors. Eur J Med Chem. 2021;226:113848. doi:10.1016/j.ejmech.2021.113848
- Kobayakawa T, Yokoyama M, Tsuji K, et al. Small-Molecule Anti-HIV-1 Agents Based on HIV-1 Capsid Proteins. Biomolecules. 2021;11(2):208. Published 2021 Feb 3. doi:10.3390/biom11020208
- Subramanian R, Tang J, Zheng J, et al. Lenacapavir: A Novel, Potent, and Selective First-in-Class Inhibitor of HIV-1 Capsid Function Exhibits Optimal Pharmacokinetic Properties for a Long-Acting Injectable Antiretroviral Agent. Molecular Pharmaceutics. 2023/12/04 2023;20(12):6213-6225. doi:10.1021/acs.molpharmaceut.3c00626