Correction for Moriconi et al., Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief

Moriconi, Alessio; Cunha, Thiago Mattar; Souza, Guilherme Eduardo de; Lopes, Alexandre H.; Cunha, Fernando Q.; Carneiro, Victor L.; Pinto, Lidiane de Castro; Brandolini, Laura; Aramini, Andrea; Bizzarri, Cinzia; Bianchini, Gianluca; Beccari, Andrea R.; Fanton, Marco; Bruno, Agostino; Costantino, Gabriele; Bertini, Riccardo; Galliera, Emanuela; Locati, Massimo; Ferreira, Sérgio Henrique; Teixeira, Mauro Martins; Allegretti, Marcello

doi:10.1073/pnas.1422166112

Proc. Natl. Acad. Sci. U.S.A.

2014

DOI: 10.1073/pnas.1422166112

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Correction for Moriconi et al., Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief

Alessio Moriconi

Thiago Mattar Cunha

Guilherme Eduardo de Souza

et al.

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Microglia-Mediated Regulation of Neuropathic Pain: Molecular and Cellular Mechanisms

Tsuda

2019

Biological & Pharmaceutical Bulletin

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Pain is a defense system that responds rapidly to harmful internal and external stimuli through the somatosensory neuronal pathway. However, damage to the nervous system through cancer, diabetes, infection, autoimmune disease, chemotherapy or trauma often leads to neuropathic pain, a debilitating chronic pain condition. Neuropathic pain is not simply a temporal continuum of acute nociceptive signals from the periphery, but rather due to pathologically altered functions in the nervous system, which shift the net neuronal excitatory balance toward excitation. Although alterations were long thought to be a result of changes in neurons, but an increasing body of evidence over the past decades indicates the necessity and sufficiency of microglia, the tissue-resident macrophages of the spinal cord and brain, for nerve injury-induced malfunction of the nervous system. In this review article, I describe our current understanding of the molecular and cellular mechanisms underlying the role of microglia in the pathogenesis of neuropathic pain and discuss the therapeutic potential of microglia from recent advances in the development of new drugs targeting microglia.

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Microglia-Mediated Regulation of Neuropathic Pain: Molecular and Cellular Mechanisms

Tsuda

2019

Biological & Pharmaceutical Bulletin

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A Structure-Based Allosteric Modulator Design Paradigm

Li,

Lan,

et al. 2023

Health Data Sci

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Importance: Allosteric drugs bound to topologically distal allosteric sites hold a substantial promise in modulating therapeutic targets deemed undruggable at their orthosteric sites. Traditionally, allosteric modulator discovery has predominantly relied on serendipitous high-throughput screening. Nevertheless, the landscape has undergone a transformative shift due to recent advancements in our understanding of allosteric modulation mechanisms, coupled with a significant increase in the accessibility of allosteric structural data. These factors have extensively promoted the development of various computational methodologies, especially for machine-learning approaches, to guide the rational design of structure-based allosteric modulators. Highlights: We here presented a comprehensive structure-based allosteric modulator design paradigm encompassing 3 critical stages: drug target acquisition, allosteric binding site, and modulator discovery. The recent advances in computational methods in each stage are encapsulated. Furthermore, we delve into analyzing the successes and obstacles encountered in the rational design of allosteric modulators. Conclusion: The structure-based allosteric modulator design paradigm holds immense potential for the rational design of allosteric modulators. We hope that this review would heighten awareness of the use of structure-based computational methodologies in advancing the field of allosteric drug discovery.

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Correction for Moriconi et al., Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief

Cited by 2 publications

References 0 publications

Microglia-Mediated Regulation of Neuropathic Pain: Molecular and Cellular Mechanisms

Microglia-Mediated Regulation of Neuropathic Pain: Molecular and Cellular Mechanisms

A Structure-Based Allosteric Modulator Design Paradigm

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