AlphaFold, artificial intelligence (AI), and allostery
R Nussinov, M Zhang, Y Liu, H Jang - The Journal of Physical …, 2022 - ACS Publications
AlphaFold has burst into our lives. A powerful algorithm that underscores the strength of
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …
[HTML][HTML] AlphaFold, allosteric, and orthosteric drug discovery: Ways forward
R Nussinov, M Zhang, Y Liu, H Jang - Drug discovery today, 2023 - Elsevier
Highlights•AlphaFold models have rigid protein structures.•Advanced deep algorithms fed
relevant data can accurately predict structures.•Algorithmic advances can harness …
relevant data can accurately predict structures.•Algorithmic advances can harness …
Mapping the energetic and allosteric landscapes of protein binding domains
Allosteric communication between distant sites in proteins is central to biological regulation
but still poorly characterized, limiting understanding, engineering and drug development …
but still poorly characterized, limiting understanding, engineering and drug development …
ASD2023: towards the integrating landscapes of allosteric knowledgebase
J He, X Liu, C Zhu, J Zha, Q Li, M Zhao… - Nucleic Acids …, 2024 - academic.oup.com
Allosteric regulation, induced by perturbations at an allosteric site topographically distinct
from the orthosteric site, is one of the most direct and efficient ways to fine-tune …
from the orthosteric site, is one of the most direct and efficient ways to fine-tune …
Along the allostery stream: Recent advances in computational methods for allosteric drug discovery
D Ni, Z Chai, Y Wang, M Li, Z Yu, Y Liu… - Wiley …, 2022 - Wiley Online Library
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 …
topologically distal allosteric sites triggered by perturbations, such as ligand binding, residue …
Insulin‐degrading enzyme: an ally against metabolic and neurodegenerative diseases
L Sousa, M Guarda, MJ Meneses… - The Journal of …, 2021 - Wiley Online Library
Insulin‐degrading enzyme (IDE) function goes far beyond its known proteolytic role as a
regulator of insulin levels. IDE has a wide substrate promiscuity, degrading several proteins …
regulator of insulin levels. IDE has a wide substrate promiscuity, degrading several proteins …
[HTML][HTML] Enzyme kinetics by isothermal titration calorimetry: Allostery, inhibition, and dynamics
Isothermal titration calorimetry (ITC) involves accurately measuring the heat that is released
or absorbed in real time when one solution is titrated into another. This technique is usually …
or absorbed in real time when one solution is titrated into another. This technique is usually …
[HTML][HTML] Allostery: allosteric cancer drivers and innovative allosteric drugs
Here, we discuss the principles of allosteric activating mutations, propagation downstream of
the signals that they prompt, and allosteric drugs, with examples from the Ras signaling …
the signals that they prompt, and allosteric drugs, with examples from the Ras signaling …
Designing drugs and chemical probes with the dualsteric approach
J Zha, J He, C Wu, M Zhang, X Liu… - Chemical Society Reviews, 2023 - pubs.rsc.org
Traditionally, drugs are monovalent, targeting only one site on the protein surface. This
includes orthosteric and allosteric drugs, which bind the protein at orthosteric and allosteric …
includes orthosteric and allosteric drugs, which bind the protein at orthosteric and allosteric …
[HTML][HTML] Mechanism of allosteric activation of SIRT6 revealed by the action of rationally designed activators
The recent discovery of activator compounds binding to an allosteric site on the NAD+-
dependent protein lysine deacetylase, sirtuin 6 (SIRT6) has attracted interest and presents a …
dependent protein lysine deacetylase, sirtuin 6 (SIRT6) has attracted interest and presents a …