Macrocycles in drug discovery─ learning from the past for the future

D Garcia Jimenez, V Poongavanam… - Journal of Medicinal …, 2023 - ACS Publications
We have analyzed FDA-approved macrocyclic drugs, clinical candidates, and the recent
literature to understand how macrocycles are used in drug discovery. Current drugs are …

Natural product drug discovery in the artificial intelligence era

FI Saldívar-González, VD Aldas-Bulos… - Chemical …, 2022 - pubs.rsc.org
Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

Amide-to-ester substitution as a stable alternative to N-methylation for increasing membrane permeability in cyclic peptides

Y Hosono, S Uchida, M Shinkai, CE Townsend… - Nature …, 2023 - nature.com
Naturally occurring peptides with high membrane permeability often have ester bonds on
their backbones. However, the impact of amide-to-ester substitutions on the membrane …

Lessons for Oral bioavailability: how Conformationally flexible cyclic peptides enter and cross lipid membranes

SM Linker, C Schellhaas, AS Kamenik… - Journal of medicinal …, 2023 - ACS Publications
Cyclic peptides extend the druggable target space due to their size, flexibility, and hydrogen-
bonding capacity. However, these properties impact also their passive membrane …

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 …

Targeting intracellular protein–protein interactions with macrocyclic peptides

M Buyanova, D Pei - Trends in pharmacological sciences, 2022 - cell.com
Intracellular protein–protein interactions (PPIs) are challenging targets for traditional drug
modalities. Macrocyclic peptides (MPs) prove highly effective PPI inhibitors in vitro and can …

The aggregate distribution of Pseudomonas aeruginosa on biochar facilitates quorum sensing and biofilm formation

H Yan, C Liu, W Yu, X Zhu, B Chen - Science of the Total Environment, 2023 - Elsevier
Biochar when applied into soil, together with soil clay minerals, may provide habitats for soil
microbes and shift soil microbial community structure. Although several mechanisms have …

[HTML][HTML] Self-assembled short peptides: Recent advances and strategies for potential pharmaceutical applications

S Yang, M Wang, T Wang, M Sun, H Huang, X Shi… - Materials Today Bio, 2023 - Elsevier
Self-assembled short peptides have intrigued scientists due to the convenience of synthesis,
good biocompatibility, low toxicity, inherent biodegradability and fast response to change in …

Peptide‐Hypervalent Iodine Reagent Chimeras: Enabling Peptide Functionalization and Macrocyclization

XY Liu, X Ji, C Heinis, J Waser - … Chemie International Edition, 2023 - Wiley Online Library
Herein, we report a novel strategy for the modification of peptides based on the introduction
of highly reactive hypervalent iodine reagents—ethynylbenziodoxolones (EBXs)—onto …

Effect of flexibility, lipophilicity, and the location of polar residues on the passive membrane permeability of a series of cyclic decapeptides

S Wang, G Konig, HJ Roth, M Fouché… - Journal of Medicinal …, 2021 - ACS Publications
Cyclic peptides have received increasing attention over the recent years as potential
therapeutics for “undruggable” targets. One major obstacle is, however, their often relatively …