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Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins.
BMC Chem
January 2025
LAQV@REQUIMTE/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, 4169-007, Portugal.
Mood disorders affect the daily lives of millions of people worldwide. The search for more efficient therapies for mood disorders remains an active field of research. In silico approaches can accelerate the search for inhibitors against protein targets related to mood disorders.
View Article and Find Full Text PDFVibrational spectra of serotonin by terahertz time domain spectroscopy and DFT simulations.
Spectrochim Acta A Mol Biomol Spectrosc
November 2024
Department of Physics, Indian Institute of Technology Kharagpur, Kharagpur 721302, India. Electronic address:
Serotonin is an important biogenic monoamine neurotransmitter that has major influences on mental health disorders; its structural and conformational changes have important roles in the biological functions of the human body. The decreased serotonin levels in the human body are majorly attributed to the causes of anxiety, depressive disorders, mood disorders, etc. Therefore, the quantification of serotonin in our bodies is of utmost importance in unearthing the origin of such physiological disorders.
View Article and Find Full Text PDFOxidative Stress in Depression: A Case-control Study of Serum MDA Levels and Lipid Levels in Patients With Depression in a Tertiary Care Hospital in South India.
Indian J Psychol Med
September 2024
Dept. of Psychiatry, The Oxford Medical College, Bengaluru, Karnataka, India.
Introduction: Numerous theories have been proposed to substantiate the etiopathogenesis of depression. Recently, the hypothesis involving the oxidative stress (OS) pathway has been explored. Hence, potential markers are also being investigated for their role in depression.
View Article and Find Full Text PDFThe periaxonal space as a conduit for cerebrospinal fluid flow to peripheral organs.
Proc Natl Acad Sci U S A
November 2024
Department of Forensic Analytical Toxicology, School of Forensic Medicine, China Medical University, Shenyang 110122, China.
Mechanisms controlling the movement of the cerebrospinal fluid (CSF) toward peripheral nerves are poorly characterized. We found that, in addition to the foramina Magendie and Luschka for CSF flow toward the subarachnoid space and glymphatic system, CSF outflow could also occur along periaxonal spaces (termed "PAS pathway") from the spinal cord to peripheral organs, such as the liver and pancreas. When interrogating the latter route, we found that serotonin, acting through 5-HT receptors expressed in ependymocytes that line the central canal, triggered Ca signals to induce polymerization of F-actin, a cytoskeletal protein, to reduce the volume of ependymal cells.
View Article and Find Full Text PDFRegional distribution of unbound eletriptan and sumatriptan in the CNS and PNS in rats: implications for a potential central action.
J Headache Pain
October 2024
Department of Pharmacy, Translational Pharmacokinetics/Pharmacodynamics group (tPKPD), Uppsala University, Uppsala, Sweden.
Background: Triptans are potent 5-HT receptor agonists used in migraine therapy, thought to act through peripheral mechanisms. It remains unclear whether triptans cross the blood-brain barrier (BBB) sufficiently to stimulate central 5-HT receptors. This study investigates the disposition of eletriptan and sumatriptan in central nervous system (CNS) and peripheral nervous system (PNS) regions and predicts regional 5-HT receptor occupancies at clinically relevant concentrations.
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