Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity

Authors: He, Li, McAndrew, Ryan, Barbu, Razvan, Gifford, Grant, Halacoglu, Cari, Drouin-Allaire, Camille, Weber, Lindsey, Kristensen, Line G., Gupta, Sayan, Chen, Yan, Petzold, Christopher J., Allaire, Marc, Li, Kathy H., Ralston, Corie Y., Gochin, Miriam

Source: In Journal of Molecular Biology 15 August 2024 436(16)

A targeted covalent small molecule inhibitor of HIV-1 fusionElectronic supplementary information (ESI) available: Supplementary figures, experimental details, compound characterisation. See DOI: 10.1039/d1cc01013a

Authors: Zhou, Guangyan, He, Li, Li, Kathy H., Pedroso, Cássio C. S., Gochin, Miriam

Source: Chemical communications. 57(37):4528-4531

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100121748495.0x000001&indx=1&recIds=ETOCvdc_100121748495.0x000001

Biophysical studies of HIV-1 glycoprotein-41 interactions with peptides and small molecules – Effect of lipids and detergents

Authors: Zhou, Guangyan, Chu, Shidong, Kohli, Aditya, Szoka, Francis C., Gochin, Miriam

Source: In BBA - General Subjects December 2020 1864(12)

Investigation of the molecular characteristics of bisindole inhibitors as HIV-1 glycoprotein-41 fusion inhibitors

Authors: Zhou, Guangyan, Chu, Shidong, Nemati, Ariana, Huang, Chunsheng, Snyder, Beth A., Ptak, Roger G., Gochin, Miriam

Source: In European Journal of Medicinal Chemistry 1 January 2019 161:533-542

Enhanced potency of bivalent small molecule gp41 inhibitors

Authors: Sofiyev, Vladimir, Kaur, Hardeep, Snyder, Beth A., Hogan, Priscilla A., Ptak, Roger G., Hwang, Peter, Gochin, Miriam

Source: In Bioorganic & Medicinal Chemistry 1 January 2017 25(1):408-420

Strategies for lead discovery: Application of footprint similarity targeting HIVgp41

Authors: Holden, Patrick M., Allen, William J., Gochin, Miriam, Rizzo, Robert C.

Source: In Bioorganic & Medicinal Chemistry 1 January 2014 22(1):651-661

Swapped-Domain Constructs of the Glycoprotein-41 Ectodomain Are Potent Inhibitors of HIV Infection

Authors: Chu, Shidong, Kaur, Hardeep, Nemati, Ariana, Walsh, Joseph D., Partida, Vivian, Zhang, Shao-Qing, Gochin, Miriam

Source: ACS chemical biology. 10(5):1247-1257

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN601251497&indx=1&recIds=ETOCRN601251497

Targeting a Conserved Lysine in the Hydrophobic Pocket of HIV-1 gp41 Improves Small Molecule Antiviral Activity.

Authors: He, Li, Zhou, Guangyan, Sofiyev, Vladimir, Garcia, Eddie, Nguyen, Newton, Li, Kathy H., Gochin, Miriam

Source: Viruses (1999-4915); Dec2022, Vol. 14 Issue 12, p2703, 12p

Subject Terms: SMALL molecules, HIV, MOLECULAR weights, CARBOXYLIC acids, DRUG target, TENOFOVIR

Colloidal Aggregate Detection by Rapid Fluorescence Measurement of Liquid Surface Curvature Changes in Multiwell Plates

Authors: Cai, Lifeng, Gochin, Miriam ^*

Source: In SLAS Discovery October 2007 12(7):966-971

HIV-1 FUSION INHIBITORS AND METHODS

Artificial Ion Channel Biosensor in Human Immunodeficiency Virus gp41 Drug Sensing.

Authors: Hou, Yanxia, Gochin, Miriam

Source: Analytical Chemistry; August 1 2008, Vol. 80 Issue 15, p5924-5929, 6p

Structural Characterization of a Paramagnetic Metal-Ion-Assembled Three-Stranded α-Helical Coiled Coil.

Authors: Gochin, Miriam, Khorosheva, Valentina, Case, Martin A.

Source: Journal of the American Chemical Society; September 18 2002, Vol. 124 Issue 37, p11018-11028, 11p

Structure determination by restrained molecular dynamics using NMR pseudocontact shifts as experimentally determined constraints.

Authors: Tu, Kechuan, Gochin, Miriam

Source: Journal of the American Chemical Society; October 13 1999, Vol. 121 Issue 40, p9276-9285, 10p

Two-dimensional COSY and two-dimensional NOE spectroscopy of d(AC)4∙d(GT)4: extraction of structural constraints.

Authors: Gochin, Miriam, Zon, Gerald, James, Thomas L.

Source: Biochemistry; December 25 1990, Vol. 29, p11161-11171, 11p

Solution structure studies of d(AC)4∙d(GT)4 via restrained molecular dynamics simulations with NMR constraints derived from two-dimensional NOE and double-quantum-filtered COSY experiments.

Authors: Gochin, Miriam, James, Thomas L.

Source: Biochemistry; December 25 1990, Vol. 29, p11172-11180, 9p

NMR-assisted computational studies of peptidomimetic inhibitors bound in the hydrophobic pocket of HIV-1 glycoprotein 41.

Authors: Gochin, Miriam miriam.gochin@tu.edu, Whitby, Landon¹, Phillips, Aaron², Boger, Dale¹

Source: Journal of Computer-Aided Molecular Design. Jul2013, Vol. 27 Issue 7, p569-582. 14p. 7 Diagrams, 4 Charts, 5 Graphs.

Subject Terms: *NUCLEAR magnetic resonance, *GLYCOPROTEINS, *PEPTIDOMIMETICS, *HYDROPHOBIC surfaces, *MOLECULAR docking, *PROTEIN-protein interactions, *CELL fusion, *ENZYME inhibitors

A high-resolution structure of a DNA–chromomycin–Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance

Authors: Gochin, Miriam

Source: In Structure 2000 8(4):441-452

Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation

Authors: Allen, William J., Yi, Hyun Ah, Gochin, Miriam, Jacobs, Amy, Rizzo, Robert C.

Source: In Bioorganic & Medicinal Chemistry Letters 15 July 2015 25(14):2853-2859

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Identification of fragments targeting an alternative pocket on HIV-1 gp41 by NMR screening and similarity searching

Authors: Chu, Shidong, Gochin, Miriam

Source: In Bioorganic & Medicinal Chemistry Letters 15 September 2013 23(18):5114-5118