Molecular docking as a popular tool in drug design, an in silico travel
New molecular modeling approaches, driven by rapidly improving computational platforms,
have allowed many success stories for the use of computer-assisted drug design in the …
have allowed many success stories for the use of computer-assisted drug design in the …
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace
The interplay between life sciences and advancing technology drives a continuous cycle of
chemical data growth; these data are most often stored in open or partially open databases …
chemical data growth; these data are most often stored in open or partially open databases …
ProteinsPlus: a web portal for structure analysis of macromolecules
R Fährrolfes, S Bietz, F Flachsenberg… - Nucleic acids …, 2017 - academic.oup.com
With currently more than 126 000 publicly available structures and an increasing growth
rate, the Protein Data Bank constitutes a rich data source for structure-driven research in …
rate, the Protein Data Bank constitutes a rich data source for structure-driven research in …
Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors
The modulation of PPIs by low molecular weight chemical compounds, particularly by orally
bioavailable molecules, would be very valuable in numerous disease indications. However …
bioavailable molecules, would be very valuable in numerous disease indications. However …
New insights into protein–protein interaction modulators in drug discovery and therapeutic advance
Protein-protein interactions (PPIs) are fundamental to cellular signaling and transduction
which marks them as attractive therapeutic drug development targets. What were once …
which marks them as attractive therapeutic drug development targets. What were once …
MTiOpenScreen: a web server for structure-based virtual screening
CM Labbé, J Rey, D Lagorce, M Vavruša… - Nucleic acids …, 2015 - academic.oup.com
Open screening endeavors play and will play a key role to facilitate the identification of new
bioactive compounds in order to foster innovation and to improve the effectiveness of …
bioactive compounds in order to foster innovation and to improve the effectiveness of …
Interfering peptides targeting protein–protein interactions: the next generation of drugs?
H Bruzzoni-Giovanelli, V Alezra, N Wolff, CZ Dong… - Drug Discovery …, 2018 - Elsevier
Highlights•Structure-based strategies allow more-specific targeting of protein–protein
interactions (PPIs).•Interfering peptides (IPs) become a promising alternative to small …
interactions (PPIs).•Interfering peptides (IPs) become a promising alternative to small …
State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors
C Sheng, G Dong, Z Miao, W Zhang… - Chemical Society …, 2015 - pubs.rsc.org
Targeting protein–protein interactions (PPIs) has emerged as a viable approach in modern
drug discovery. However, the identification of small molecules enabling us to effectively …
drug discovery. However, the identification of small molecules enabling us to effectively …
Peptide‐based covalent inhibitors of protein–protein interactions
Protein–protein interactions (PPI) are involved in all cellular processes and many represent
attractive therapeutic targets. However, the frequently rather flat and large interaction areas …
attractive therapeutic targets. However, the frequently rather flat and large interaction areas …
Overcoming chemical, biological, and computational challenges in the development of inhibitors targeting protein-protein interactions
Protein-protein interactions (PPIs) underlie the majority of biological processes, signaling,
and disease. Approaches to modulate PPIs with small molecules have therefore attracted …
and disease. Approaches to modulate PPIs with small molecules have therefore attracted …