Alloscore: a method for predicting allosteric ligand-protein interactions

Bioinformatics
Shuai LiJian Zhang

Abstract

Allosteric ligands have increasingly gained attention as potential therapeutic agents due to their higher target selectivity and lower toxicity compared with classic orthosteric ligands. Despite the great interest in the development of allosteric drugs as a new tactic in drug discovery, the understanding of the ligand-protein interactions underlying allosteric binding represents a key challenge. Herein, we introduce Alloscore, a web server that predicts the binding affinities of allosteric ligand-protein interactions. This method exhibits prominent performance in describing allosteric binding and could be useful in allosteric virtual screening and the structural optimization of allosteric agonists/antagonists. The Alloscore server and tutorials are freely available at http://mdl.shsmu.edu.cn/alloscore jian.zhang@sjtu.edu.cn Supplementary data are available at Bioinformatics online.

References

Sep 20, 2011·Trends in Pharmacological Sciences·Ruth NussinovPeter Csermely
Oct 23, 2012·Journal of Molecular Graphics & Modelling·Qi WangJian Zhang
Jan 23, 2013·Journal of Molecular Graphics & Modelling·Xiaobai LiJian Zhang
Apr 16, 2013·Cell·Ruth Nussinov, Chung-Jung Tsai
Jul 12, 2013·Bioinformatics·Wenkang HuangJian Zhang
Jan 15, 2014·Bioinformatics·Alejandro Panjkovich, Xavier Daura
Apr 20, 2014·Trends in Pharmacological Sciences·Ruth Nussinov, Chung-Jung Tsai
May 16, 2014·Medicinal Research Reviews·Shaoyong LuJian Zhang
Mar 27, 2015·Bioinformatics·Wenkang HuangJian Zhang
Sep 15, 2015·Nucleic Acids Research·Qiancheng ShenJian Zhang

❮ Previous
Next ❯

Citations

Nov 11, 2017·PLoS Computational Biology·Richard D SmithHeather A Carlson
Feb 6, 2020·International Journal of Molecular Sciences·Olivier Sheik AmamuddyOzlem Tastan Bishop
Oct 31, 2019·Nucleic Acids Research·Xinyi LiuJian Zhang
Jan 16, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Chunqiong LiRugang Zhong
May 15, 2018·Nucleic Acids Research·Min HuangJian Zhang
Jan 24, 2020·Frontiers in Chemistry·Zarko GagicKatarina Nikolic
Mar 1, 2019·Journal of Medicinal Chemistry·Shaoyong LuJian Zhang
Aug 22, 2017·Journal of Chemical Information and Modeling·Kun SongJian Zhang

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Methods of Biochemical Analysis
Eric B FaumanColin R Groom
Tanpakushitsu kakusan koso. Protein, nucleic acid, enzyme
Tadashi Kadowaki, Gozoh Tsujimoto
© 2021 Meta ULC. All rights reserved