Cyclic peptide drugs approved in the last two decades (2001–2021)

H Zhang, S Chen - RSC Chemical Biology, 2022‏ - pubs.rsc.org
In contrast to the major families of small molecules and antibodies, cyclic peptides, as a
family of synthesizable macromolecules, have distinct biochemical and therapeutic …

Concepts of artificial intelligence for computer-assisted drug discovery

X Yang, Y Wang, R Byrne, G Schneider… - Chemical …, 2019‏ - ACS Publications
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 …

Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor

EA Fink, J Xu, H Hübner, JM Braz, P Seemann, C Avet… - Science, 2022‏ - science.org
Because nonopioid analgesics are much sought after, we computationally docked more
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 …

Accurate de novo design of membrane-traversing macrocycles

G Bhardwaj, J O'Connor, S Rettie, YH Huang… - Cell, 2022‏ - cell.com
We use computational design coupled with experimental characterization to systematically
investigate the design principles for macrocycle membrane permeability and oral …

Understanding cell penetration of cyclic peptides

PG Dougherty, A Sahni, D Pei - Chemical Reviews, 2019‏ - ACS Publications
Approximately 75% of all disease-relevant human proteins, including those involved in
intracellular protein–protein interactions (PPIs), are undruggable with the current drug …

Intracellular delivery by membrane disruption: mechanisms, strategies, and concepts

MP Stewart, R Langer, KF Jensen - Chemical reviews, 2018‏ - ACS Publications
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 …

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 …

Molecular chameleons in drug discovery

V Poongavanam, LHE Wieske, S Peintner… - Nature Reviews …, 2024‏ - nature.com
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 …

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 …