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1.

Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.

Ghosh AK, R Nyalapatla P, Kovela S, Rao KV, Brindisi M, Osswald HL, Amano M, Aoki M, Agniswamy J, Wang YF, Weber IT, Mitsuya H.

J Med Chem. 2018 May 24;61(10):4561-4577. doi: 10.1021/acs.jmedchem.8b00298. Epub 2018 May 15.

2.

Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants.

Ghosh AK, Rao KV, Nyalapatla PR, Kovela S, Brindisi M, Osswald HL, Sekhara Reddy B, Agniswamy J, Wang YF, Aoki M, Hattori SI, Weber IT, Mitsuya H.

ChemMedChem. 2018 Apr 23;13(8):803-815. doi: 10.1002/cmdc.201700824. Epub 2018 Mar 15.

3.

Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir.

Ghosh AK, Fyvie WS, Brindisi M, Steffey M, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H.

ChemMedChem. 2017 Dec 7;12(23):1942-1952. doi: 10.1002/cmdc.201700614. Epub 2017 Nov 24.

4.

Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.

Ghosh AK, Sean Fyvie W, Brindisi M, Steffey M, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H.

Bioorg Med Chem Lett. 2017 Nov 1;27(21):4925-4931. doi: 10.1016/j.bmcl.2017.09.003. Epub 2017 Sep 6.

PMID:
28958624
5.

Decoding HIV resistance: from genotype to therapy.

Weber IT, Harrison RW.

Future Med Chem. 2017 Sep;9(13):1529-1538. doi: 10.4155/fmc-2017-0048. Epub 2017 Aug 9. Review.

PMID:
28791894
6.

Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex.

Ghosh AK, Brindisi M, Nyalapatla PR, Takayama J, Ella-Menye JR, Yashchuk S, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H.

Bioorg Med Chem. 2017 Oct 1;25(19):5114-5127. doi: 10.1016/j.bmc.2017.04.005. Epub 2017 Apr 9.

PMID:
28434781
7.

Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.

Ghosh AK, Rao KV, Nyalapatla PR, Osswald HL, Martyr CD, Aoki M, Hayashi H, Agniswamy J, Wang YF, Bulut H, Das D, Weber IT, Mitsuya H.

J Med Chem. 2017 May 25;60(10):4267-4278. doi: 10.1021/acs.jmedchem.7b00172. Epub 2017 Apr 18.

8.

Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.

Gerlits O, Keen DA, Blakeley MP, Louis JM, Weber IT, Kovalevsky A.

J Med Chem. 2017 Mar 9;60(5):2018-2025. doi: 10.1021/acs.jmedchem.6b01767. Epub 2017 Feb 28.

9.

Tackling the problem of HIV drug resistance.

Weber IT, Harrison RW.

Postepy Biochem. 2016;62(3):273-279. Review.

10.

Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics.

Agniswamy J, Louis JM, Roche J, Harrison RW, Weber IT.

PLoS One. 2016 Dec 16;11(12):e0168616. doi: 10.1371/journal.pone.0168616. eCollection 2016.

11.

Automated prediction of HIV drug resistance from genotype data.

Shen C, Yu X, Harrison RW, Weber IT.

BMC Bioinformatics. 2016 Aug 31;17 Suppl 8:278. doi: 10.1186/s12859-016-1114-6.

12.

Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.

Ghosh AK, Osswald HL, Glauninger K, Agniswamy J, Wang YF, Hayashi H, Aoki M, Weber IT, Mitsuya H.

J Med Chem. 2016 Jul 28;59(14):6826-37. doi: 10.1021/acs.jmedchem.6b00639. Epub 2016 Jul 7.

13.

In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus.

Sachla AJ, Ouattara M, Romero E, Agniswamy J, Weber IT, Gadda G, Eichenbaum Z.

Biometals. 2016 Aug;29(4):593-609. doi: 10.1007/s10534-016-9937-1. Epub 2016 May 6.

PMID:
27154580
14.

Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.

Gerlits O, Wymore T, Das A, Shen CH, Parks JM, Smith JC, Weiss KL, Keen DA, Blakeley MP, Louis JM, Langan P, Weber IT, Kovalevsky A.

Angew Chem Int Ed Engl. 2016 Apr 11;55(16):4924-7. doi: 10.1002/anie.201509989. Epub 2016 Mar 9.

15.

Can we design drugs for HIV/AIDS that are less susceptible to resistance?

Weber IT.

Future Med Chem. 2015;7(17):2301-4. doi: 10.4155/fmc.15.149. Epub 2015 Nov 30. No abstract available.

16.

Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.

Ghosh AK, Martyr CD, Kassekert LA, Nyalapatla PR, Steffey M, Agniswamy J, Wang YF, Weber IT, Amano M, Mitsuya H.

Org Biomol Chem. 2015 Dec 28;13(48):11607-21. doi: 10.1039/c5ob01930c. Epub 2015 Oct 14.

17.

Conformational variation of an extreme drug resistant mutant of HIV protease.

Shen CH, Chang YC, Agniswamy J, Harrison RW, Weber IT.

J Mol Graph Model. 2015 Nov;62:87-96. doi: 10.1016/j.jmgm.2015.09.006. Epub 2015 Sep 8.

18.

Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.

Ghosh AK, Martyr CD, Osswald HL, Sheri VR, Kassekert LA, Chen S, Agniswamy J, Wang YF, Hayashi H, Aoki M, Weber IT, Mitsuya H.

J Med Chem. 2015 Sep 10;58(17):6994-7006. doi: 10.1021/acs.jmedchem.5b00900. Epub 2015 Aug 25.

19.

Structure-based design of potent HIV-1 protease inhibitors with modified P1-biphenyl ligands: synthesis, biological evaluation, and enzyme-inhibitor X-ray structural studies.

Ghosh AK, Yu X, Osswald HL, Agniswamy J, Wang YF, Amano M, Weber IT, Mitsuya H.

J Med Chem. 2015 Jul 9;58(13):5334-43. doi: 10.1021/acs.jmedchem.5b00676. Epub 2015 Jun 24.

20.

Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.

Ghosh AK, Takayama J, Kassekert LA, Ella-Menye JR, Yashchuk S, Agniswamy J, Wang YF, Aoki M, Amano M, Weber IT, Mitsuya H.

Bioorg Med Chem Lett. 2015 Nov 1;25(21):4903-4909. doi: 10.1016/j.bmcl.2015.05.052. Epub 2015 May 30.

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