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Lalonde JM, Le-Khac M, Jones DM, et al. Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization. ACS Med Chem Lett. 2013;4(3):338-343doi: 10.1021/ml300407y.
Lalonde, J. M., Le-Khac, M., Jones, D. M., Courter, J. R., Park, J., Schön, A., Princiotto, A. M., Wu, X., Mascola, J. R., Freire, E., Sodroski, J., Madani, N., Hendrickson, W. A., & Smith, A. B. (2013). Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization. ACS medicinal chemistry letters, 4(3), 338-343. https://doi.org/10.1021/ml300407y
Lalonde, Judith M, et al. "Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization." ACS medicinal chemistry letters vol. 4,3 (2013): 338-343. doi: https://doi.org/10.1021/ml300407y
Lalonde JM, Le-Khac M, Jones DM, Courter JR, Park J, Schön A, Princiotto AM, Wu X, Mascola JR, Freire E, Sodroski J, Madani N, Hendrickson WA, Smith AB. Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization. ACS Med Chem Lett. 2013 Mar 14;4(3):338-343. doi: 10.1021/ml300407y. PMID: 23667716; PMCID: PMC3647702.
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ACS Med Chem Lett. 2013 Mar 14;4(3):338-343. doi: 10.1021/ml300407y.

Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.

ACS medicinal chemistry letters

Judith M Lalonde, Matthew Le-Khac, David M Jones, Joel R Courter, Jongwoo Park, Arne Schön, Amy M Princiotto, Xueling Wu, John R Mascola, Ernesto Freire, Joseph Sodroski, Navid Madani, Wayne A Hendrickson, Amos B Smith

Affiliations

  1. Department of Chemistry, Bryn Mawr College, Bryn Mawr, PA 19010.

PMID: 23667716 PMCID: PMC3647702 DOI: 10.1021/ml300407y

Abstract

The design, synthesis, thermodynamic and crystallographic characterization of a potent, broad spectrum, second-generation HIV-1 entry inhibitor that engages conserved carbonyl hydrogen bonds within gp120 has been achieved. The optimized antagonist exhibits a sub-micromolar binding affinity (110 nM) and inhibits viral entry of clade B and C viruses (IC

Keywords: CD4; HIV; entry inhibitor; gp120; protein-protein interactions; structure-based drug design; thermodynamics; viral inhibition; x-ray crystallography

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