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Kang, D., Feng, D., Jing, L., Sun, Y., Wei, F., Jiang, X., Wu, G., De Clercq, E., Pannecouque, C., Zhan, P., Liu, X. (2020). In situ click chemistry-based rapid discovery of novel HIV-1 NNRTIs by exploiting the hydrophobic channel and tolerant regions of NNIBP. Eur J Med Chem, 193. doi: 10.1016/j.ejmech.2020.112237
Desantis, J., Massari, S., Corona, A., Astolfi, A., Sabatini, S., Manfroni, G., Palazzotti, D., Cecchetti, V., Pannecouque, C., Tramontano, E., Tabarrini, O. (2020). 1,2,4-Triazolo[1,5-a]pyrimidines as a Novel Class of Inhibitors of the HIV-1 Reverse Transcriptase-Associated Ribonuclease H Activity. Molecules, 25 (5). doi: 10.3390/molecules25051183
Sang, Y., Pannecouque, C., De Clercq, E., Zhuang, C., Chen, F. (2020). Pharmacophore-fusing design of pyrimidine sulfonylacetanilides as potent non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg Chem, 96. doi: 10.1016/j.bioorg.2020.103595
Lei, Y., Han, S., Yang, Y., Pannecouque, C., De Clercq, E., Zhuang, C., Chen, F-E. (2020). Design of Biphenyl-Substituted Diarylpyrimidines with a Cyanomethyl Linker as HIV-1 NNRTIs via a Molecular Hybridization Strategy. Molecules, 25 (5). doi: 10.3390/molecules25051050
Kang, D., Ruiz, F.X., Feng, D., Pilch, A., Zhao, T., Wei, F., Wang, Z., Sun, Y., Fang, Z., De Clercq, E., Pannecouque, C., Arnold, E., Liu, X., Zhan, P. (2020). Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel. JOURNAL OF MEDICINAL CHEMISTRY, 63 (3), 1298-1312. doi: 10.1021/acs.jmedchem.9b01769
Jin, K., Liu, M., Zhuang, C., De Clercq, E., Pannecouque, C., Meng, G., Chen, F. (2020). Improving the positional adaptability: structure-based design of biphenyl-substituted diaryltriazines as novel non-nucleoside HIV-1 reverse transcriptase inhibitors. ACTA PHARMACEUTICA SINICA B, 10 (2), 344-357. doi: 10.1016/j.apsb.2019.09.007 Open Access
Xiao, T., Tang, J-F., Meng, G., Pannecouque, C., Zhu, Y-Y., Liu, G-Y., Xu, Z-Q., Wu, F-S., Gu, S-X., Chen, F-E. (2020). Indazolyl-substituted piperidin-4-yl-aminopyrimidines as HIV-1 NNRTIs: Design, synthesis and biological activities. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 186, Art.No. UNSP 111864. doi: 10.1016/j.ejmech.2019.111864
Han, S., Sang, Y., Wu, Y., Tao, Y., Pannecouque, C., De Clercq, E., Zhuang, C., Chen, F-E. (2020). Fragment hopping-based discovery of novel sulfinylacetamide-diarylpyrimidines (DAPYs) as HIV-1 nonnucleoside reverse transcriptase inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 185, Art.No. UNSP 111874. doi: 10.1016/j.ejmech.2019.111874
Sang, Y., Han, S., Pannecouque, C., De Clercq, E., Zhuang, C., Chen, F. (2019). Ligand-Based Design of Nondimethylphenyl-Diarylpyrimidines with Improved Metabolic Stability, Safety, and Oral Pharmacokinetic Profiles. JOURNAL OF MEDICINAL CHEMISTRY, 62 (24), 11430-11436. doi: 10.1021/acs.jmedchem.9b01446
Sang, Y., Han, S., Pannecouque, C., De Clercq, E., Zhuang, C., Chen, F. (2019). Conformational restriction design of thiophene-biphenyl-DAPY HIV-1 non-nucleoside reverse transcriptase inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 182, Art.No. ARTN 111603. doi: 10.1016/j.ejmech.2019.111603
Zhao, T., Meng, Q., Kang, D., Ji, J., De Clercq, E., Pannecouque, C., Liu, X., Zhan, P. (2019). Discovery of novel indolylarylsulfones as potent HIV-1 NNRTIs via structure-guided scaffold morphing. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 182, Art.No. ARTN 111619. doi: 10.1016/j.ejmech.2019.111619
Wu, G., Zhao, T., Kang, D., Zhang, J., Song, Y., Namasivayam, V., Kongsted, J., Pannecouque, C., De Clercq, E., Poongavanam, V., Liu, X., Zhan, P. (2019). Overview of Recent Strategic Advances in Medicinal Chemistry. JOURNAL OF MEDICINAL CHEMISTRY, 62 (21), 9375-9414. doi: 10.1021/acs.jmedchem.9b00359
Jiang, X., Yu, J., Zhou, Z., Kongsted, J., Song, Y., Pannecouque, C., De Clercq, E., Kang, D., Poongavanam, V., Liu, X., Zhan, P. (2019). Molecular design opportunities presented by solvent-exposed regions of target proteins. MEDICINAL RESEARCH REVIEWS, 39 (6), 2194-2238. doi: 10.1002/med.21581
Gao, P., Cheng, X., Sun, L., Song, S., Alvarez, M., Luczkowiak, J., Pannecouque, C., De Clercq, E., Menendez-Arias, L., Zhan, P., Liu, X. (2019). Design, synthesis and biological evaluation of 3-hydroxyquinazoline-2,4(1H, 3H)-diones as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and integrase. BIOORGANIC & MEDICINAL CHEMISTRY, 27 (17), 3836-3845. doi: 10.1016/j.bmc.2019.07.011
Jin, K., Sang, Y., Han, S., De Clercq, E., Pannecouque, C., Meng, G., Chen, F. (2019). Synthesis and biological evaluation of dihydroquinazoline-2-amines as potent non-nucleoside reverse transcriptase inhibitors of wild-type and mutant HIV-1 strains. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 176, 11-20. doi: 10.1016/j.ejmech.2019.05.011
Sang, Y., Han, S., Han, S., Pannecouque, C., De Clercq, E., Zhuang, C., Chen, F. (2019). Follow on-based optimization of the biphenyl-DAPYs as HIV-1 nonnucleoside reverse transcriptase inhibitors against the wild-type and mutant strains. BIOORGANIC CHEMISTRY, 89, Art.No. UNSP 102974. doi: 10.1016/j.bioorg.2019.102974
Kang, D., Zhao, T., Wang, Z., Feng, D., Zhang, H., Huang, B., Wu, G., Wei, F., Zhou, Z., Jing, L., Zuo, X., Tian, Y., Poongavanam, V., Kongsted, J., De Clercq, E., Pannecouque, C., Zhan, P., Liu, X. (2019). Discovery of piperidine-substituted thiazolo[5,4-d] pyrimidine derivatives as potent and orally bioavailable HIV-1 non-nucleoside reverse transcriptase inhibitors. COMMUNICATIONS CHEMISTRY, 2, Art.No. ARTN 74. doi: 10.1038/s42004-019-0174-8 Open Access
Kang, D., Wang, Z., Chen, M., Feng, D., Wu, G., Zhou, Z., Jing, L., Zuo, X., Jiang, X., Daelemans, D., De Clercq, E., Pannecouque, C., Zhan, P., Liu, X. (2019). Discovery of potent HIV-1 non-nucleoside reverse transcriptase inhibitors by exploring the structure-activity relationship of solvent-exposed regions I. CHEMICAL BIOLOGY & DRUG DESIGN, 93 (4), 430-437. doi: 10.1111/cbdd.13429
Gao, P., Wang, X., Sun, L., Cheng, X., Poongavanam, V., Kongsted, J., Alvarez, M., Luczkowiak, J., Pannecouque, C., De Clercq, E., Lee, K-H., Chen, C-H., Liu, H., Menendez-Arias, L., Liu, X., Zhan, P. (2019). Design, synthesis, and biologic evaluation of novel galloyl derivatives as HIV-1 RNase H inhibitors. CHEMICAL BIOLOGY & DRUG DESIGN, 93 (4), 582-589. doi: 10.1111/cbdd.13455
Zhou, Z., Liu, T., Wu, G., Kang, D., Fu, Z., Wang, Z., De Clercq, E., Pannecouque, C., Zhan, P., Liu, X. (2019). Targeting the hydrophobic channel of NNIBP: discovery of novel 1,2,3-triazole-derived diarylpyrimidines as novel HIV-1 NNRTIs with high potency against wild-type and K103N mutant virus. ORGANIC & BIOMOLECULAR CHEMISTRY, 17 (12), 3202-3217. doi: 10.1039/c9ob00032a
Huang, B., Chen, W., Zhao, T., Li, Z., Jiang, X., Ginex, T., Vilchez, D., Luque, F.J., Kang, D., Gao, P., Zhang, J., Tian, Y., Daelemans, D., De Clercq, E., Pannecouque, C., Zhan, P., Liu, X. (2019). Exploiting the Tolerant Region I of the Non-Nucleoside Reverse Transcriptase Inhibitor (NNRTI) Binding Pocket: Discovery of Potent Diarylpyrimidine-Typed HIV-1 NNRTIs against Wild-Type and E138K Mutant Virus with Significantly Improved Water Solubility and Favorable Safety Profiles. JOURNAL OF MEDICINAL CHEMISTRY, 62 (4), 2083-2098. doi: 10.1021/acs.jmedchem.8b01729