Allostery is a universal, biological phenomenon in which orthosteric sites are fine‐tuned by
topologically distal allosteric sites triggered by perturbations, such as ligand binding, residue …

Allostery is a fundamental and extensive mechanism of intramolecular signal transmission.
Allosteric drugs possess several unique pharmacological advantages over traditional …

Allostery, which is one of the most direct and efficient methods to fine-tune protein functions,
has gained increasing recognition in drug discovery. However, there are several challenges …

Increasing data in allostery are requiring analysis of coupling relationships among different
allosteric sites on a single protein. Here, based on our previous efforts on reversed allosteric …

A highly effective medicine is urgently required to cure coronavirus disease 2019 (COVID-
19). For the purpose, we developed a molecular docking based webserver, namely …

Great success has been witnessed in last decades, some new techniques and strategies
have been widely used in drug discovery. In this roadmap, several representative …

Dual-targeting therapeutics by coadministration of allosteric and orthosteric drugs is drawing
increased attention as a revolutionary strategy for overcoming the drug-resistance problems …

The spike protein of SARS-CoV-2 (CoV-2-S) mediates the virus entry into human cells.
Experimental studies have shown the stronger binding affinity of the RBD (receptor binding …

Allosteric regulation is the most direct and efficient way of regulating protein function,
wherein proteins transmit the perturbations at one site to another distinct functional site …

Highlights•Allosteric signals underlie the functional mechanisms of allosteric
drugs.•Elucidation of allosteric signals facilitates rational allosteric drug discovery.• …