Publications

Found 13 results
Filters: Author is Spasov, Krasimir A  [Clear All Filters]
2010
Hung, K. - W., Chang, Y. - W., Eng, E. T., Chen, J. - H., Chen, Y. - C., Sun, Y. - J., Hsiao, C. - D., Dong, G., Spasov, K. A., Unger, V. M., and Huang, T. - H. (2010) Structural fold, conservation and Fe(II) binding of the intracellular domain of prokaryote FeoB. J Struct Biol. 170, 501-12
2015
Lee, W. - G., Frey, K. M., Gallardo-Macias, R., Spasov, K. A., Chan, A. H., Anderson, K. S., and Jorgensen, W. L. (2015) Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem Lett. 25, 4824-4827
2016
Lee, W. - G., Chan, A. H., Spasov, K. A., Anderson, K. S., and Jorgensen, W. L. (2016) Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents. ACS Med Chem Lett. 7, 1156-1160
2017
Chan, A. H., Lee, W. - G., Spasov, K. A., Cisneros, J. A., Kudalkar, S. N., Petrova, Z. O., Buckingham, A. B., Anderson, K. S., and Jorgensen, W. L. (2017) Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc Natl Acad Sci U S A. 10.1073/pnas.1711463114
2020
Duong, V. N., Ippolito, J. A., Chan, A. H., Lee, W. - G., Spasov, K. A., Jorgensen, W. L., and Anderson, K. S. (2020) Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci. 10.1002/pro.3910
2021
Ippolito, J. A., Niu, H., Bertoletti, N., Carter, Z. J., Jin, S., Spasov, K. A., Cisneros, J. A., Valhondo, M., Cutrona, K. J., Anderson, K. S., and Jorgensen, W. L. (2021) Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. ACS Med Chem Lett. 12, 249-255
Zhang, C. - H., Spasov, K. A., Reilly, R. A., Hollander, K., Stone, E. A., Ippolito, J. A., Liosi, M. - E., Deshmukh, M. G., Tirado-Rives, J., Zhang, S., Liang, Z., Miller, S. J., Isaacs, F., Lindenbach, B. D., Anderson, K. S., and Jorgensen, W. L. (2021) Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency. ACS Med Chem Lett. 12, 1325-1332
Zhang, C. - H., Stone, E. A., Deshmukh, M., Ippolito, J. A., Ghahremanpour, M. M., Tirado-Rives, J., Spasov, K. A., Zhang, S., Takeo, Y., Kudalkar, S. N., Liang, Z., Isaacs, F., Lindenbach, B., Miller, S. J., Anderson, K. S., and Jorgensen, W. L. (2021) Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. ACS Cent Sci. 7, 467-475
2022
Frey, K. M., Bertoletti, N., Chan, A. H., Ippolito, J. A., Bollini, M., Spasov, K. A., Jorgensen, W. L., and Anderson, K. S. (2022) Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci. 9, 805187
2023
Prucha, G. R., Henry, S., Hollander, K., Carter, Z. J., Spasov, K. A., Jorgensen, W. L., and Anderson, K. S. (2023) Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur J Med Chem. 262, 115894
Carter, Z. J., Hollander, K., Spasov, K. A., Anderson, K. S., and Jorgensen, W. L. (2023) Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase. Bioorg Med Chem Lett. 84, 129216
Hollander, K., Chan, A. H., Frey, K. M., Hunker, O., Ippolito, J. A., Spasov, K. A., Yeh, Y. - H. J., Jorgensen, W. L., Ho, Y. - C., and Anderson, K. S. (2023) Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci. 32, e4814
2024
Papini, C., Ullah, I., Ranjan, A. P., Zhang, S., Wu, Q., Spasov, K. A., Zhang, C., Mothes, W., Crawford, J. M., Lindenbach, B. D., Uchil, P. D., Kumar, P., Jorgensen, W. L., and Anderson, K. S. (2024) Proof-of-concept studies with a computationally designed M inhibitor as a synergistic combination regimen alternative to Paxlovid. Proc Natl Acad Sci U S A. 121, e2320713121