Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
Zhenkun MaShijie HeYing YuanZhijun ZhuangYu LiuHuan WangJing ChenXiangyi XuCharles DingVadim MolodtsovWei LinGregory T RobertsonWilliam J WeissMark PulsePhung NguyenLeonard DuncanTimothy DoyleRichard H EbrightAnthony Simon LynchPublished in: Journal of medicinal chemistry (2022)
TNP-2198, a stable conjugate of a rifamycin pharmacophore and a nitroimidazole pharmacophore, has been designed, synthesized, and evaluated as a novel dual-targeted antibacterial agent for the treatment of microaerophilic and anaerobic bacterial infections. TNP-2198 exhibits greater activity than a 1:1 molar mixture of the parent drugs and exhibits activity against strains resistant to both rifamycins and nitroimidazoles. A crystal structure of TNP-2198 bound to a Mycobacterium tuberculosis RNA polymerase transcription initiation complex reveals that the rifamycin portion of TNP-2198 binds to the rifamycin binding site on RNAP and the nitroimidazole portion of TNP-2198 interacts directly with the DNA template-strand in the RNAP active-center cleft, forming a hydrogen bond with a base of the DNA template strand. TNP-2198 is currently in Phase 2 clinical development for the treatment of Helicobacter pylori infection, Clostridioides difficile infection, and bacterial vaginosis.
Keyphrases
- helicobacter pylori infection
- mycobacterium tuberculosis
- cancer therapy
- microbial community
- wastewater treatment
- molecular dynamics
- circulating tumor
- escherichia coli
- helicobacter pylori
- drug delivery
- clostridium difficile
- anti inflammatory
- mass spectrometry
- nucleic acid
- antimicrobial resistance
- multidrug resistant
- electron transfer