- |||||||||| Kalydeco (ivacaftor) / Vertex
Journal: Two rare variants that affect the same amino acid in CFTR have distinct responses to ivacaftor. (Pubmed Central) - Jan 16, 2024 Ivacaftor potentiated channel gating by both rare variants without restoring their activity to wild-type levels, but concurrently reduced current flow through open channels, particularly those of S1159F-CFTR. Our data demonstrate that S1159F and S1159P cause CFTR dysfunction by multiple mechanisms that require combinations of CFTR-targeted therapies to fully restore channel function.
- |||||||||| Journal: Druggable cavities and allosteric modulators of the cell division cycle 7 (CDC7) kinase. (Pubmed Central) - Jan 15, 2024
All the known CDC7 inhibitors are ATP-competitives, lacking of selectivity enough for success in clinical trials. As allosteric sites are less conserved among kinase proteins, discovery of allosteric modulators of CDC7 is a great challenge and opportunity in this field.Using different computational approaches, we have here identified new druggable cavities on the human CDC7 structure and subsequently selective CDC7 inhibitors with allosteric modulation mainly targeting the pockets where the interaction between this kinase and its activator DBF4 takes place.
- |||||||||| Journal: The Role and Potential Mechanism of Complement Factor D in Fibromyalgia Development. (Pubmed Central) - Dec 25, 2023
In summary, based on bioinformatic methods and big data mining we obtained a new target CFD for FM, and further experiments verified that CFD has significant inhibition of ATP-induced neuropathic pain. These findings provide a new theoretical basis for the clinical translation of CFD.
- |||||||||| Journal: Functional dissection of KATP channel structures reveals the importance of a conserved interface. (Pubmed Central) - Dec 16, 2023
Further structure-guided mutagenesis experiments indicate that destabilizing interface II by deleting ECL3 on the SUR1 subunit impairs KNtp-independent Mg-ADP activation, demonstrating the essential role of intramolecular interactions between KATP and SUR in Mg-ADP activation. Additionally, interface II is functionally conserved between SUR1 and SUR2, and the hydrophobic residue F351 on ECL3 of SUR1 is crucial for maintaining the stability of this interface.
- |||||||||| Journal: Post-transcriptional capping generates coenzyme A-linked RNA. (Pubmed Central) - Nov 30, 2023
Dual bacterial expression of candidate RNAs with different 5' structures followed by CoA-RNA CaptureSeq revealed 12-fold enrichment of the better PPAT substrate, consistent with in vivo CoA-capping of RNA transcripts by PPAT. These results suggest post-transcriptional RNA capping as a possible mechanism for the biogenesis of CoA-RNAs in bacteria.
- |||||||||| Jardiance (empagliflozin) / Eli Lilly, Boehringer Ingelheim, Invokana (canagliflozin) / J&J, Daiichi Sankyo, Mitsubishi Tanabe, Sutent (sunitinib) / Pfizer
Review, Journal: Is there any robust evidence showing that SGLT2 inhibitor predisposes to cancer? (Pubmed Central) - Nov 28, 2023 More large-scale pre-clinical and clinical studies are needed to explore their potential preventive and therapeutic roles of SGLT-2 inhibitors in cancer treatment. In this narrative review, our aim is to explore the pre-clinical and clinical data regarding the potential anti-cancer effects of SGLT-2 inhibitors including the hypothetical pathophysiological mechanisms.
- |||||||||| Preclinical, Journal: Lipid mediator resolvin D2 inhibits ATP currents in rat primary sensory neurons. (Pubmed Central) - Nov 21, 2023
These findings indicated that RvD2 inhibited P2X3 receptors in rat primary sensory neurons through GPR18, PTX-sensitive G? -proteins, and intracellular cAMP/PKA signaling, revealing a novel mechanism that underlies its analgesic effects by targeting P2X3 receptors.
- |||||||||| Journal: ATP-Bound State of the Uncoupling Protein 1 (UCP1) from Molecular Simulations. (Pubmed Central) - Nov 17, 2023
Based on the simulations, we make the following testable predictions about the mechanisms of activation of proton leak and proton leak inhibition by ATP: (1) R277 plays the dual role of stabilizing ATP at the binding site for inhibition and acting as a proton surrogate for D28 in the absence of a proton during proton transport, (2) the binding of ATP to UCP1 is mediated by residues R84, R92, R183, and S88, (3) R92 shuttles ATP from the E191-R92 gate in the intermembrane space to the nucleotide binding site and serves to increase ATP affinity, (4) ATP can inhibit proton leak by controlling the ionization states of matrix facing lysine residues such as K269 and K56, and (5) fatty acids can bind to UCP1 from the IMM either via the cavity between TM1 and TM2 or between TM5 and TM6. Our simulations set the platform for future investigations into the proton transport and inhibition mechanisms of UCP1.
- |||||||||| Nexletol (bempedoic acid) / Esperion Therap, Otsuka, Daiichi Sankyo
Review, Journal: Untangling the relationship between bempedoic acid and gout: results from a systematic literature review. (Pubmed Central) - Nov 13, 2023 Data from phase 2 and 3 RCTs do not allow for confirming a clear association between BA and gout. It is conceivable that a careful assessment of SUA levels/history of gout at baseline and the concomitant use of urate-lowering agents may be instrumental to minimise the risk of new-onset gout/gout flares in patients treated with BA.
- |||||||||| Sirturo (bedaquiline) / J&J, Pharmstandard
Journal: Quinoline Compounds Targeting the c-Ring of ATP Synthase Inhibit Drug-Resistant Pseudomonas aeruginosa. (Pubmed Central) - Nov 5, 2023 Due to their central role in cell metabolism, bacterial bioenergetic processes are of increasing interest as drug targets, especially with the success of the ATP synthase inhibitor bedaquiline to treat drug-resistant tuberculosis...Moreover, by expressing the PA ATP synthase in Escherichia coli, we show that mutations in the H binding site on the membrane-embedded rotor ring alter inhibition by the reported quinoline compounds. Identification of a potent inhibitor and its probable binding site on ATP synthase enables further development of promising quinoline derivatives into a viable treatment for drug-resistant PA infection.
- |||||||||| bemcentinib (BGB324) / BerGenBio, repotrectinib (TPX-0005) / BMS
Journal: The promising impact of Bemcentinib and Repotrectinib on sleep impairment in Alzheimer's disease. (Pubmed Central) - Nov 4, 2023 We report Bemcentinib and Repotrectinib, formerly prescribed for cancer, as potential inhibitors of the CK1 ?. Besides their high binding affinity compared to ATP, they can inhibit all ATP-binding sites and alter the tau binding stability.Communicated by Ramaswamy H. Sarma.
- |||||||||| The role of the astrocytic vesicular nucleotide transporter in modulating mesolimbic dopamine release and behavior (WCC Halls A-C) - Nov 3, 2023 - Abstract #Neuroscience2023NEUROSCIENCE_11281;
We did not observe a VNUTKO additive effect in mice subjected to CMS, indicating astrocytic VNUT is possibly in one key node within the CMS-induced neuromodulation. Together, our study considers whether exocytosis of ATP from astrocytes regulates multiple metabolic and neuronal pathways that could contribute to the modulation of dopamine signaling and related behavior.
- |||||||||| Primary mitochondrial dysfunction promotes APOE upregulation in neuronal models (WCC Halls A-C) - Nov 3, 2023 - Abstract #Neuroscience2023NEUROSCIENCE_8683;
This phenomenon was observed not only in human neuroblastoma cells, but also in noncancerous human neural progenitor cells. Understanding the mechanisms by which mito dysfunction upregulates APOE expression, particularly in carriers of the neurotoxic APOE ?4 isoform, could yield potential therapeutic targets that focus on the interplay between mitochondrial dysfunction and apoE biology in AD.
- |||||||||| Venclexta (venetoclax) / Roche, AbbVie, Walter and Eliza Hall Institute
Targeting SIRT5 By Succinylating Hadha Synergizes with Venetoclax in Acute Myeloid Leukemia (SDCC - Halls G-H) - Nov 3, 2023 - Abstract #ASH2023ASH_5593; We hypothesize that SIRT5 desuccinylase activity promotes FAO and reduces intracellular mitochondrial ROS levels by desuccinylating HADHA. Targeting SIRT5 inhibits fatty acid metabolism in AML cells, thereby enhancing the therapeutic effect of venetoclax.
- |||||||||| imatinib / Generic mfg.
Journal: Development of Kinase-Centric Drugs: A Computational Perspective. (Pubmed Central) - Oct 26, 2023 Several FDA-approved small-molecule drugs have been developed to combat human diseases since Gleevec was approved for the treatment of chronic myelogenous leukemia...Over the last few decades, many computational methods have been developed to supplement experimental data or predict kinase inhibitor efficacy and selectivity. This paper discusses current theoretical/computational breakthroughs in kinase inhibitor design with the necessary selectivity and optimization.
- |||||||||| Journal: COX2-ATP Synthase Regulates Spine Follicle Size in Hedgehogs. (Pubmed Central) - Oct 6, 2023
We also identified that the mitochondrial gene COX2 functions upstream of ATP synthase that influences energy metabolism and cell proliferation to control the size of the spine follicles. Our study identified molecules that function differently in forming diversely-sized skin appendages across different animals, allowing them to adapt to the living environment and benefit from self-protection.
- |||||||||| Journal: Mur ligase F as a new target for the flavonoids quercitrin, myricetin, and (-)-epicatechin. (Pubmed Central) - Oct 5, 2023
The study also investigated the crucial structural features required for activity, with a particular focus on the substitution pattern and hydroxyl group positions, which were found to be important for the activity. The study highlights the significance of computational approaches in targeting essential enzymes involved in bacterial peptidoglycan synthesis.
- |||||||||| Nexletol (bempedoic acid) / Esperion Therap, Otsuka, Daiichi Sankyo
P1 data, PK/PD data, Clinical Trial,Phase I, Journal: Phase 1, Single- and Multiple-Ascending-Dose, Food-Effect, and East Asian Subject Studies to Assess the Pharmacokinetics, Safety, and Tolerability of Bempedoic Acid, a Selective Inhibitor of Adenosine Triphosphate Citrate Lyase. (Pubmed Central) - Oct 4, 2023 Circulating concentrations of the active metabolite ESP15228 were 18.0% of bempedoic acid concentrations on average. Mean estimates of bempedoic acid elimination half-life in Japanese (25.2
- |||||||||| Biomarker, Journal, Tumor microenvironment: Sm/Co-Doped Silica-Based Nanozymes Reprogram Tumor Microenvironment for ATP-Inhibited Tumor Therapy. (Pubmed Central) - Sep 26, 2023
In addition, the considerable near-infrared (NIR) light absorption of mSC-3PO can adapt to NIR excitable photothermal treatment therapy and photoexcitation-promoted enzymatic reactions. Taken together, this work presents a typical therapeutic paradigm of multifunctional nanozymes that simultaneously reprograms TME and promotes tumor cell apoptosis with photothermal assistance.
- |||||||||| Journal: Structure-Based Design and Synthesis of Stapled Panx1 Analogues for Use in Cardiovascular Inflammatory Diseases. (Pubmed Central) - Sep 13, 2023
The introduction of triazole-based cross-links within the peptide backbones increased helical content and enhanced in vitro proteolytic stability in human plasma (>30-fold longer half-lives, compared to Panx1). In adhesion assays, a "double-stapled" peptide, SBL-PX1-206 inhibited ATP release from endothelial cells, thereby efficiently reducing THP-1 monocyte adhesion to a TNF-?-activated endothelial monolayer and making it a promising candidate for future in vivo investigations in animal models of cardiovascular inflammatory disease.
- |||||||||| Review, Journal: PI3K/AKT/mTOR signaling transduction pathway and targeted therapies in cancer. (Pubmed Central) - Aug 23, 2023
In this review we highlight the major dysregulations in the PAM signaling pathway in cancer, and discuss the results of PI3K, AKT and mTOR inhibitors as monotherapy and in co-administation with other antineoplastic agents in clinical trials as a strategy for overcoming treatment resistance. Finally, the major mechanisms of resistance to PAM signaling targeted therapies, including PAM signaling in immunology and immunotherapies are also discussed.
|