Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space.
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Summary
By pushing the boundaries of current orally designable chemical space, it is hoped that discoveries will be made for fundamental science and also for discovery of novel therapeutics.
- Type
- review
- Published
- 2018-06-01
- Cited by
- 73
- References
- 39
- OpenAlex
- https://openalex.org/W2803364122
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:44075178
Keywords
Chemical space, Lipinski's rule of five, Space (punctuation), Drug discovery, Property (philosophy)
References
- Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues.
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- Intramolecular hydrogen bonding in medicinal chemistry.
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- Discovery of daclatasvir, a pan-genotypic hepatitis C virus NS5A replication complex inhibitor with potent clinical effect.
- Small-molecule inhibitors of protein-protein interactions: progressing towards the reality
- Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers.
- Cobicistat (GS-9350): A Potent and Selective Inhibitor of Human CYP3A as a Novel Pharmacoenhancer.
- Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation
- Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space
- The druggable genome
- Structural biology and drug discovery of difficult targets: the limits of ligandability.
- How Proteins Bind Macrocycles
- Molecular properties that influence the oral bioavailability of drug candidates.
- Oral druggable space beyond the rule of 5: insights from drugs and clinical candidates.
- Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.
- Macrocyclic inhibitors of the NS3 protease as potential therapeutic agents of hepatitis C virus infection.
- The druggable genome: Evaluation of drug targets in clinical trials suggests major shifts in molecular class and indication.
- From Epoxomicin to Carfilzomib: Chemistry, Biology, and Medical Outcomes
Cited by
- Toward the Design of Molecular Chameleons: Flexible Shielding of an Amide Bond Enhances Macrocycle Cell Permeability.
- Cyclophilin Succumbs to a Macrocyclic Chameleon.
- Dengue drug discovery: Progress, challenges and outlook
- PubChem and ChEMBL beyond Lipinski
- Proteolysis targeting chimeras (PROTACs) in 'beyond rule-of-five' chemical space: Recent progress and future challenges.
- Building upon Nature's Framework: Overview of Key Strategies Toward Increasing Drug-Like Properties of Natural Product Cyclopeptides and Macrocycles.
- Methods to identify and optimize small molecules interacting with RNA (SMIRNAs)
- Developing degraders: principles and perspectives on design and chemical space
- Drug Syntheses Beyond the Rule of 5.
- Bacterial production and direct functional screening of expanded molecular libraries for discovering inhibitors of protein aggregation
- Protein-protein interactions: a structural view of inhibition strategies and the IL-23/IL-17 axis.
- Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1
- Improving membrane permeation in the beyond rule-of-five space by using prodrugs to mask hydrogen bond donors.
- Scopy: an integrated negative design python library for desirable HTS/VS database design
- Current strategies for the design of PROTAC linkers: a critical review
- Analyzing FDA-approved drugs for compliance of pharmacokinetic principles: should there be a critical screening parameter in drug designing protocols?
- Solution Conformations Shed Light on PROTAC Cell Permeability
- Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space.
- Defining and navigating macrocycle chemical space
- The role of reversible and irreversible covalent chemistry in targeted protein degradation.
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