Concepedia

Target-templated <i>de novo</i> design of macrocyclic <scp>d</scp>-/<scp>l</scp>-peptides: discovery of drug-like inhibitors of PD-1

Salvador Guardiola, Mónica Varese, Xavier Roig, Macarena Sánchez‐Navarro, Jesús García, Ernest Giralt

Chemical Science · 2021 · 22 citations · 25 references

DOIFull text

Open access

Concepts

Abstract

<italic>In silico</italic> design of heterochiral cyclic peptides that bind to a specific surface patch on the target protein (PD-1, in this case) and disrupt protein–protein interactions.

References

25

Tumor-associated B7-H1 promotes T-cell apoptosis: A potential mechanism of immune evasion

Haidong Dong, Scott E. Strome, Diva R. Salomão et al. · Nature Medicine · 2002 · 5K citations

, , +17

The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design

Rebecca F. Alford, Andrew Leaver‐Fay, Jeliazko R. Jeliazkov et al. · Journal of Chemical Theory and Computation · 2017 · 1.6K citations

, , +17

The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins

Dima Kozakov, Laurie E. Grove, David R. Hall et al. · Nature Protocols · 2015 · 673 citations · Full text

, , +16

Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1

Krzysztof M. Żak, Radosław Kitel, Sara Przetocka et al. · Structure · 2015 · 526 citations · Full text

, , +13

Accurate de novo design of hyperstable constrained peptides

Gaurav Bhardwaj, Vikram Khipple Mulligan, Christopher D. Bahl et al. · Nature · 2016 · 467 citations

, , +9