Protein Allostery in Drug Discovery

Allosteric Modulators of Protein–Protein Interactions (PPIs)

Ni, D., Liu, N., & Sheng, C. (2019) · Advances in experimental medicine and biology · doi:10.1007/978-981-13-8719-7_13 · Cited by 37 · see citing works

Allosteric Small-Molecule Serine/Threonine Kinase Inhibitors

Panicker, R. C., Chattopadhaya, S., Coyne, A. G., & Srinivasan, R. (2019) · Advances in experimental medicine and biology · doi:10.1007/978-981-13-8719-7_11 · Cited by 21 · see citing works

Engineering Allostery into Proteins

Gorman, S. D., D’Amico, R. N., Winston, D. S., & Boehr, D. D. (2019) · Advances in experimental medicine and biology · doi:10.1007/978-981-13-8719-7_15 · Cited by 17 · see citing works

Allosteric Modulation of Intrinsically Disordered Proteins

Rehman, A. U., Rahman, M. U., Arshad, T., & Chen, H. (2019) · Advances in experimental medicine and biology · doi:10.1007/978-981-13-8719-7_14 · Cited by 12 · see citing works

Allosteric Regulation of Protein Kinases Downstream of PI3-Kinase Signalling

Leroux, A. E., Gross, L. Z. F., Sacerdoti, M., & Biondi, R. M. (2019) · Advances in experimental medicine and biology · doi:10.1007/978-981-13-8719-7_12 · Cited by 8 · see citing works

AlphaFold and Implications for Intrinsically Disordered Proteins

Ruff, K. M., & Pappu, R. V. (2021) · Journal of Molecular Biology · doi:10.1016/j.jmb.2021.167208 · Cited by 635 · see citing works

Recent advances in targeting the “undruggable” proteins: from drug discovery to clinical trials

Xie, X., Yu, T., Li, X., Zhang, N., Foster, L. J., Peng, C., Huang, W., & He, G. (2023) · Signal Transduction and Targeted Therapy · doi:10.1038/s41392-023-01589-z · Cited by 396 · see citing works

Machine Learning Prediction of Allosteric Drug Activity from Molecular Dynamics

Marchetti, F., Moroni, E., Pandini, A., & Colombo, G. (2021) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.1c00045 · Cited by 62 · see citing works

Wandering beyond small molecules: peptides as allosteric protein modulators

Mannes, M., Martin, C., Menet, C. J., & Ballet, S. (2021) · Trends in Pharmacological Sciences · doi:10.1016/j.tips.2021.10.011 · Cited by 49 · see citing works

A review on structural mechanisms of protein-persistent organic pollutant (POP) interactions

Nagar, N., Saxena, H., Pathak, A., Mishra, A., & Poluri, K. M. (2023) · Chemosphere · doi:10.1016/j.chemosphere.2023.138877 · Cited by 43 · see citing works

Machine learning and protein allostery

Xiao, S., Verkhivker, G. M., & Tao, P. (2022) · Trends in Biochemical Sciences · doi:10.1016/j.tibs.2022.12.001 · Cited by 34 · see citing works

Significance of the Protein Interface Configuration for Allostery in Imidazole Glycerol Phosphate Synthase

Kneuttinger, A. C., Rajendran, C., Simeth, N. A., Bruckmann, A., König, B., & Sterner, R. (2020) · Biochemistry · doi:10.1021/acs.biochem.0c00332 · Cited by 30 · see citing works

Prediction and targeting of GPCR oligomer interfaces

Barreto, C. A. V., Baptista, S. J., Preto, A. J., Matos‐Filipe, P., Mourão, J., Melo, R., & Moreira, I. S. (2020) · Progress in molecular biology and translational science · doi:10.1016/bs.pmbts.2019.11.007 · Cited by 22 · see citing works

Surveying the Side-Chain Network Approach to Protein Structure and Dynamics: The SARS-CoV-2 Spike Protein as an Illustrative Case

Halder, A., Anto, A., Subramanyan, V., Bhattacharyya, M., Vishveshwara, S., & Vishveshwara, S. (2020) · Frontiers in Molecular Biosciences · doi:10.3389/fmolb.2020.596945 · Cited by 20 · see citing works

Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach

Rana, N., Patel, D., Parmar, M., Mukherjee, N., Jha, P. C., & Manhas, A. (2023) · Scientific Reports · doi:10.1038/s41598-023-45175-3 · Cited by 21 · see citing works

Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design

Zhu, Z., Deng, Z., Wang, Q., Wang, Y., Zhang, D., Xu, R., Guo, L., & Wen, H. (2022) · Frontiers in Pharmacology · doi:10.3389/fphar.2022.939555 · Cited by 17 · see citing works

Picornavirus 3C Proteins Intervene in Host Cell Processes through Proteolysis and Interactions with RNA

Mondal, S., Sarvari, G., & Boehr, D. D. (2023) · Viruses · doi:10.3390/v15122413 · Cited by 18 · see citing works

Allosteric binding on nuclear receptors: Insights on screening of non-competitive endocrine-disrupting chemicals

Zhang, C., Wu, J., Chen, Q., Tan, H., Huang, F., Guo, J., Zhang, X., Yu, H., & Shi, W. F. (2021) · Environment International · doi:10.1016/j.envint.2021.107009 · Cited by 17 · see citing works

Subsets of Slow Dynamic Modes Reveal Global Information Sources as Allosteric Sites

Altintel, B., Acar, B., Erman, B., & Haliloǧlu, T. (2022) · Journal of Molecular Biology · doi:10.1016/j.jmb.2022.167644 · Cited by 16 · see citing works

Therapeutic Targeting the Allosteric Cysteinome of RAS and Kinase Families

Li, L., Meyer, C., Zhou, Z.-W., Elmezayen, A., & Westover, K. (2022) · Journal of Molecular Biology · doi:10.1016/j.jmb.2022.167626 · Cited by 14 · see citing works

Known allosteric proteins have central roles in genetic disease

Abrusán, G., Ascher, D. B., & Inouye, M. (2022) · PLoS Computational Biology · doi:10.1371/journal.pcbi.1009806 · Cited by 13 · see citing works

Allosteric Modulators of Dopamine D2 Receptors for Fine-Tuning of Dopaminergic Neurotransmission in CNS Diseases: Overview, Pharmacology, Structural Aspects and Synthesis

Kaczor, A. A., Wróbel, T. M., & Bartuzi, D. (2022) · Molecules · doi:10.3390/molecules28010178 · Cited by 13 · see citing works

Allosteric inhibition of myosin by phenamacril: a synergistic mechanism revealed by computational and experimental approaches

Bao, Y., Xu, Y., Jia, F., Li, M., Xu, R., Zhang, F., & Guo, J. (2023) · Pest Management Science · doi:10.1002/ps.7699 · Cited by 12 · see citing works

On the linkage of thermodynamics and pathogenicity

Pandey, P., Ghimire, S., Wu, B., & Alexov, E. G. (2023) · Current Opinion in Structural Biology · doi:10.1016/j.sbi.2023.102572 · Cited by 11 · see citing works

Network medicine and systems pharmacology approaches to predicting adverse drug effects

Funari, A., Fiscon, G., & Paci, P. (2024) · British Journal of Pharmacology · doi:10.1111/bph.17330 · Cited by 9 · see citing works

Elucidating Protein-Ligand Interactions Using High Throughput Biophysical Techniques

Agarwal, N., Chetry, V., & Poluri, K. M. (2021) · Springer eBooks · doi:10.1007/978-981-15-8936-2_9 · Cited by 9 · see citing works

Proofreading mechanism for colloidal self-assembly

Zhu, Q.-Z., Du, C. X., King, E. M., & Brenner, M. P. (2024) · Physical Review Research · doi:10.1103/physrevresearch.6.l042057 · Cited by 7 · see citing works

AlloBench: A Data Set Pipeline for the Development and Benchmarking of Allosteric Site Prediction Tools

Maity, D., & Qiao, B. (2025) · ACS Omega · doi:10.1021/acsomega.5c01263 · Cited by 5 · see citing works

Distinct classes of potassium channels fused to GPCRs as electrical signaling biosensors

García-Fernández, M. D., Chatelain, F. C., Nury, H., Moroni, A., & Moreau, C. (2021) · Cell Reports Methods · doi:10.1016/j.crmeth.2021.100119 · Cited by 2 · see citing works

Analysis of the mechanism of action of inhibitors targeting the allosteric activation of edema factor of Bacillus anthracis

Pitard, I. (2020) · doi:10.70675/d6f2d0e6zd713z41ecz9564z86c8e4cdbaa4

Allosteric Methods and Their Applications: Facilitating the Discovery of Allosteric Drugs and the Investigation of Allosteric Mechanisms

Lu, S., Shen, Q., & Zhang, J. (2019) · Accounts of Chemical Research · doi:10.1021/acs.accounts.8b00570 · Cited by 166 · see citing works

Possible mechanism and clinical potentials of allostery

Huang, P., & Villar, E. L. (2014) · Clinical and Translational Medicine · doi:10.1186/2001-1326-3-18

Protein Function | Allostery in Proteins: Canonical Models and New Insights

Kim, E. D., Kim, C. D., Chaney, J., & Kim, S. (2021) · Elsevier eBooks · doi:10.1016/b978-0-12-819460-7.00259-0

A New Theoretical Approach to Allostery

Villani, G. (2021) · American Journal of Biomedical Science & Research · doi:10.34297/ajbsr.2021.12.001760

Engineering an Allosteric Control of Protein Function

Vishweshwaraiah, Y. L., Chen, J., & Dokholyan, N. V. (2021) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.0c11640 · Cited by 33 · see citing works