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Cyclic peptide drugs approved in the last two decades (2001–2021)
In contrast to the major families of small molecules and antibodies, cyclic peptides, as a
family of synthesizable macromolecules, have distinct biochemical and therapeutic …
family of synthesizable macromolecules, have distinct biochemical and therapeutic …
Concepts of artificial intelligence for computer-assisted drug discovery
Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …
opportunities for the discovery and development of innovative drugs. Various machine …
Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor
Because nonopioid analgesics are much sought after, we computationally docked more
than 301 million virtual molecules against a validated pain target, the α2A-adrenergic …
than 301 million virtual molecules against a validated pain target, the α2A-adrenergic …
Discovery of a Covalent Inhibitor of KRASG12C (AMG 510) for the Treatment of Solid Tumors
BA Lanman, JR Allen, JG Allen, AK Amegadzie… - 2019 - ACS Publications
KRASG12C has emerged as a promising target in the treatment of solid tumors. Covalent
inhibitors targeting the mutant cysteine-12 residue have been shown to disrupt signaling by …
inhibitors targeting the mutant cysteine-12 residue have been shown to disrupt signaling by …
Accurate de novo design of membrane-traversing macrocycles
We use computational design coupled with experimental characterization to systematically
investigate the design principles for macrocycle membrane permeability and oral …
investigate the design principles for macrocycle membrane permeability and oral …
Understanding cell penetration of cyclic peptides
Approximately 75% of all disease-relevant human proteins, including those involved in
intracellular protein–protein interactions (PPIs), are undruggable with the current drug …
intracellular protein–protein interactions (PPIs), are undruggable with the current drug …
Intracellular delivery by membrane disruption: mechanisms, strategies, and concepts
Intracellular delivery is a key step in biological research and has enabled decades of
biomedical discoveries. It is also becoming increasingly important in industrial and medical …
biomedical discoveries. It is also becoming increasingly important in industrial and medical …
The current state of peptide drug discovery: back to the future?
A Henninot, JC Collins, JM Nuss - Journal of medicinal chemistry, 2018 - ACS Publications
Over the past decade, peptide drug discovery has experienced a revival of interest and
scientific momentum, as the pharmaceutical industry has come to appreciate the role that …
scientific momentum, as the pharmaceutical industry has come to appreciate the role that …
Molecular chameleons in drug discovery
Molecular chameleons possess a flexibility that allows them to dynamically shield or expose
polar functionalities in response to the properties of the environment. Although the concept …
polar functionalities in response to the properties of the environment. Although the concept …
Getting across the cell membrane: an overview for small molecules, peptides, and proteins
NJ Yang, MJ Hinner - Site-Specific Protein Labeling: Methods and …, 2014 - Springer
The ability to efficiently access cytosolic proteins is desired in both biological research and
medicine. However, targeting intracellular proteins is often challenging, because to reach …
medicine. However, targeting intracellular proteins is often challenging, because to reach …