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Structure-based design and synthesis of nucleoside-triphosphate analogs as new classes of viral polymerase inhibitors KU Leuven
Nucleoside analog inhibitors (NIs) are well-established antiviral drugs. In order to be an active substrate-mimic, an NI must undergo three consecutive phosphorylation steps by three distinct cellular kinases to add α-, β-, and ɤ-phosphates, and the resulting triphosphate form of an NI is the substrate of the viral polymerase. However, the efficiency of phosphorylation steps is a bottleneck for high efficacy of an NI drug. In this project, we ...
Design, synthesis, and cytostatic activity of novel pyrazine sorafenib analogs KU Leuven
© 2016, Springer Science+Business Media New York. The current study is focused on a series of sorafenib analogs as potential antitumor agents. We have designed and synthesized nine novel pyrazine analogs 6a–i differing in amide and/or urea regions. Two alternative strategies for the preparation of title compounds were applied. The first strategy involved ether formation between 4-hydroxyphenyl urea 3 and 5-chloro-pyrazine-2-carboxamides 4. In ...
Structure-based design of novel heterocycle-substituted ATDP analogs as non-nucleoside reverse transcriptase inhibitors with improved selectivity and solubility KU Leuven
Following on our recently developed biphenyl-ATDP non-nucleoside reverse transcriptase inhibitor ZLM-66 (SI = 2019.80, S = 1.9 μg/mL), a series of novel heterocycle-substituted ATDP derivatives with significantly improved selectivity and solubility were identified by replacement of the biphenyl moiety of ZLM-66 with heterocyclic group with lower lipophilicity. Evidently, the representative analog 7w in this series exhibited dramatically enhanced ...
Structure-guided design of novel HEPT analogs with enhanced potency and safety: From Isopropyl-HEPTs to Cyclopropyl-HEPTs KU Leuven
Members of the HEPT class are potential non-nucleoside inhibitors of HIV-1 reverse transcriptase. Our previously disclosed one representative HEPT analog 2 produced potent inhibitory activity against wild-type HIV-1 (EC50 = 63.0 nM), but its high cytotoxicity and low selectivity index still needs to be improved (CC50 = 34.0 μM, SI = 565). In this work, a series of novel cyclopropyl-substituted HEPT analogs were developed by substituting a ...
Design and visualization of second-generation cyanoisoindole-based fluorescent strigolactone analogs Flanders Institute for Biotechnology Ghent University
Design, synthesis, chemical characterization, biological evaluation, and docking study of new 1,3,4-oxadiazole homonucleoside analogs KU Leuven
Herein, we report the synthetic strategies and characterization of some novel 1,3,4-oxadiazole homonucleoside analogs that are relevant to potential antitumor and cytotoxic activities. The structure of all compounds is confirmed using various spectroscopic methods such as 1H-NMR, 13C-NMR, HRMS, and FTIR. These compounds were evaluated against three human cancer cell lines (MCF-7, SKBR3, and HL60 Cell Line). Preliminary investigations showed that ...