ReviewJournal of medicinal chemistry2025
Challenges of Aufheben to Promote Druglikeness: Chemical Modification Strategies to Improve Aqueous Solubility and Permeability.
Review in Journal of medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
8 citing papers in PubMed.
- Unique fluoroalkyl substituents: is there life after CFChemical science · 2026Review
- Selective Macrocyclic WEE1 Kinase Inhibitors with Strong Efficacy against Patient-Derived Colorectal Cancer Organoids.Journal of medicinal chemistry · 2026Article
- Dual-target carbonic anhydrase inhibitors in cancer therapy: progress, challenges, and opportunities.Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents · 2026Review
- TRIZ-guided computational innovation framework for the automated generation and prioritization of novel azole-like antifungal candidates targeting Candida auris CYP51.Journal of computer-aided molecular design · 2026Article
- Janus porphyrin-stabilized phase-transition theranostics for multimodal imaging-guided synergistic cancer therapy.Materials today. Bio · 2026Article
- A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models.Journal of computer-aided molecular design · 2026Article
- Diastereomeric Branched-Ester dBET1 Analogs Exhibit Conformation-Dependent Differences in Passive Membrane Permeability.Journal of medicinal chemistry · 2026Article
- Bioaccessibility and combined effect in transepithelial transport mechanisms of different dried thinned peach polyphenols.Food chemistry: X · 2026Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A key challenge in drug discovery is to endow candidate bioactive molecules with druglike properties. However, the optimization of critical, often-conflicting physicochemical properties through chemical modifications is particularly difficult, and the term Aufheben has been adopted to describe the simultaneous preservation and modification of apparent opposites to achieve improvement. This perspective examines strategies to reconcile conflicting parameters, such as lipophilicity/hydrophilicity, druglikeness/flatness, and druglikeness/molecular weight, in order to improve the aqueous solubility and membrane permeability of drug candidates. We review and categorize numerous molecular design strategies that have been investigated to address these challenges and highlight some recent successful examples.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.