Muscarinic receptor agonists and positive allosteric modulators in animal models of psychosis: protocol for a systematic review and meta-analysis [version 2; peer review: 1 approved, 2 approved with reservations] by Spyridon Siafis, Johannes Schneider-Thoma, Alexandra Bannach-Brown, Oliver D. Howes, Virginia Chiocchia, Ulf Tölch, Natascha I. Drude, Sabine M. Hölter, Andrea de Bartolomeis, Anthony C. Vernon, Georgia Salanti, Sridhar Natesan, Stefan Leucht, Irene Bighelli, Sameer Jauhar, Ioannis Mantas, Josef Priller, Francesca Tinsdeall, Wulf-Peter Hansen, Fiona J. Ramage, Nobuyuki Nomura, Malcolm R. Macleod

“…Background Muscarinic receptor agonism and positive allosteric modulation is a promising mechanism of action for treating psychosis, not present in most D2R-blocking antipsychotics. …”
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Discovery of New Ligand with Quinoline Scaffold as Potent Allosteric Inhibitor of HIV-1 and Its Copper Complexes as a Powerful Catalyst for the Synthesis of Chiral Benzimidazole Derivatives, and in Silico Anti-HIV-1 Studies by Sabikeh G. Azimi, Ghodsieh Bagherzade, Mohammad Reza Saberi, Zeinab Amiri Tehranizadeh

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Hemoglobin Variants as Targets for Stabilizing Drugs by Miroslava Žoldáková, Michal Novotný, Krishna P. Khakurel, Gabriel Žoldák

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SAMHD1 shapes deoxynucleotide triphosphate homeostasis by interconnecting the depletion and biosynthesis of different dNTPs by Claudia McCown, Corey H. Yu, Dmitri N. Ivanov

“…Here we elucidate the substrate activation mechanism of SAMHD1, which involves dNTP binding at allosteric sites and transient tetramerization. Our findings reveal that tetramerization alone is insufficient to promote dNTP hydrolysis; instead, the activation mechanism requires an inactive tetrameric intermediate with partially occupied allosteric sites. …”
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Allostery can convert binding free energies into concerted domain motions in enzymes by Nicole Stéphanie Galenkamp, Sarah Zernia, Yulan B. Van Oppen, Marco van den Noort, Andreas Milias-Argeitis, Giovanni Maglia

“…Our findings reveal that allosteric interactions between ligands and cofactor enable converting binding energies into directional conformational changes of the two catalytic domains of AK. …”
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Antiepileptic activity and potential mechanism of full-spectrum hemp extract by Zengliang Jin, Zhuo Huang

“…The results indicated that cannabichromene (CBC) and cannabinol (CBN) were involved in the anti-seizure process, especially CBC showed a strong allosteric enhancement effects on CBD binding site of the GABAA receptor, which implied that the GABAA receptor seemed to be the primary anti-epileptic target of HE. …”
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Non-Steroidal Anti-Inflammatory Drugs Are Inhibitors of the Intestinal Proton-Coupled Amino Acid Transporter (PAT1): Ibuprofen and Diclofenac Are Non-Translocated Inhibitors by Carsten Uhd Nielsen, Sebastian Jakobsen, Maria L. Pedersen

“…Molecular modeling pointed to a binding mode involving an allosteric site. <b>Conclusions:</b> NSAIDs interact with hPAT1 as non-translocated non-competitive inhibitors, and molecular modeling points to a binding mode involving an allosteric site distinct from the substrate binding site. …”
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Exploring Zinc C295 as a Dual HIV-1 Integrase Inhibitor: From Strand Transfer to 3′-Processing Suppression by Sharif Karim Sayyed, Marzuqa Quraishi, D. S. Prabakaran, Balaji Chandrasekaran, Thiyagarajan Ramesh, Satish Kumar Rajasekharan, Chaitany Jayprakash Raorane, Tareeka Sonawane, Vinothkannan Ravichandran

“…Computational analyses revealed key interactions of Zinc C295 within the enzyme’s allosteric site, providing insights into its dual inhibitory mechanism. …”
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Functional Characterization of the SHIP1-Domains Regarding Their Contribution to Inositol 5-Phosphatase Activity by Spike Murphy Müller, Nina Nelson, Manfred Jücker

“…The regression analysis of the Michaelis–Menten graph revealed SHIP1 to be an allosteric enzyme, with the PRR and the linker being the most involved domains in that regard. …”
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The therapeutic agents that target ATP-sensitive potassium channels by Rubaiy Hussein N.

“…In response to nucleotides and pharmaceutical agonists and antagonists, SUR allosterically regulates channel gating. The allosteric communication pathways between these two heterologus proteins in KATP channels are still poorly understood. …”
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Spinal Antinociceptive Action of Amiloride and Its Interaction with Tizanidine in the Rat Formalin Test by Handong Ouyang, Peizong Wang, Wan Huang, Qiang Li, Bilin Nie, Weian Zeng

“…Intrathecal α2-adrenergic receptor agonists produce pronounced analgesia, and amiloride modulates α2-adrenergic receptor agonist binding and function, acting via the allosteric site on the α2A-adrenergic receptor.…”
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Strategies to innovate emergency care of status epilepticus by Jaideep Kapur

“…Compromised GABA-mediated inhibition is a defining feature of SE, and many current therapies are benzodiazepines, which are allosteric modulators of GABA-A receptors. Many patients with medically refractory epilepsy are at risk for SE. …”
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Computational analysis of the effect of a binding protein (RbpA) on the dynamics of Mycobacterium tuberculosis RNA polymerase assembly. by Sneha Bheemireddy, Ramanathan Sowdhamini, Narayanaswamy Srinivasan

“…Notably, potential allosteric mechanisms, involving the interface of subunits α1 and α2 were uncovered, shedding light on how RbpA modulates transcriptional activity.…”
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Metabotropic Glutamate Receptors for Parkinson's Disease Therapy by Fabrizio Gasparini, Thérèse Di Paolo, Baltazar Gomez-Mancilla

“…The most promising results have been seen clinically with selective antagonists of mGlu5 receptor and preclinically with selective positive allosteric modulators of mGlu4 receptor. The growing understanding of glutamate receptor crosstalk also raises the possibility of more precise modulation of glutamatergic transmission, which may lead to the development of more effective agents for PD.…”
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PTH1R-CaSR Cross Talk: New Treatment Options for Breast Cancer Osteolytic Bone Metastases by Yanmei Yang, Bin Wang

“…The effects of intermittent PTH and allosteric modulators of CaSR for the use of bone-anabolic agents and prevention of BrCa bone metastases constitute a proof of principle for therapeutic consideration. …”
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Metabolic Basis for Thyroid Hormone Liver Preconditioning: Upregulation of AMP-Activated Protein Kinase Signaling by Luis A. Videla, Virginia Fernández, Pamela Cornejo, Romina Vargas

“…This is achieved by mechanisms involving direct allosteric activation and reversible phosphorylation of AMPK, in response to signals such as energy status, serum insulin/glucagon ratio, nutritional stresses, pharmacological and natural compounds, and oxidative stress status. …”
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Comparative Molecular Field Analysis (CoMFA) for Thiotetrazole Alkynylacetanilides, a Non-Nucleoside Inhibitor of HIV-1 Double Mutant K103N/Y181C Reverse Transcriptase by Sivan Sree Kanth, Kotla Sai Abhishake, Manga Vijjulatha

“…Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors of the HIV-1 reverse transcriptase. …”
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Conformational Dynamics of Mitochondrial Inorganic Pyrophosphatase hPPA2 and Its Changes Caused by Pathogenic Mutations by Ekaterina Bezpalaya, Svetlana Kurilova, Nataliya Vorobyeva, Elena Rodina

“…This motion is discussed in terms of the allosteric behavior of the protein. Analysis of the observed conformational dynamics revealed the formation of a binding site for anionic ligands in the active site that could be relevant to enzyme catalysis. …”
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Molecular dynamics simulations reveal key roles of the LIF receptor in the assembly of human LIF signaling complex by Bo Gao, Hanrui Liu, Mengkai Zhu, Shun Zhang, Meiniang Wang, Yijun Ruan, Yue Zheng

“…Key residues F178 and K181 in FXXK motif, along with K124 in LIF helix B, mediate hydrophobic interactions, hydrogen bonding and allosteric regulation, collectively stabilizing the LIF-LIFR interaction. …”
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Modulatory Effects of Eschscholzia californica Alkaloids on Recombinant GABAA Receptors by Milan Fedurco, Jana Gregorová, Kristýna Šebrlová, Jana Kantorová, Ondřej Peš, Roland Baur, Erwin Sigel, Eva Táborská

“…However, (S)-reticuline behaved as positive allosteric modulator at the α3, α5, and α6 isoforms of GABAA receptors. …”
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