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DO-GMA: An End-to-End Drug-Target Interaction Identification Framework with a Depthwise Overparameterized Convolutional Network and the Gated Multihead Attention Mechanism.
J Chem Inf Model
January 2025
Geneis (Beijing) Co. Ltd., Beijing 100102, China.
Identification of potential drug-target interactions (DTIs) is a crucial step in drug discovery and repurposing. Although deep learning effectively deciphers DTIs, most deep learning-based methods represent drug features from only a single perspective. Moreover, the fusion method of drug and protein features needs further refinement.
View Article and Find Full Text PDFThe role of rodent behavioral models of schizophrenia in the ongoing search for novel antipsychotics.
Expert Opin Drug Discov
January 2025
Centro de Investigación en Reproducción Animal Universidad Autónoma de Tlaxcala - CINVESTAV Tlaxcala, Tlaxcala, México.
Introduction: Existing pharmacotherapies for schizophrenia have not progressed beyond targeting dopamine and serotonin neurotransmission. Rodent models of schizophrenia are a necessary tool for elucidating neuropathological processes and testing potential pharmacotherapies, but positive preclinical results in rodent models often do not translate to positive results in the clinic.
Areas Covered: The authors reviewed PubMed for studies that applied rodent behavioral models of schizophrenia to assess the antipsychotic potential of several novel pharmacotherapies currently under investigation.
Cross-species comparison of AlphaFold-derived G protein-coupled receptor structures reveals novel melatonin-related receptor in Neurospora crassa.
PLoS One
January 2025
Center for Computation and Integrative Biology, Rutgers, The State of New Jersey, Camden, NJ, United States of America.
Melatonin, a molecule with diverse biological functions, is ubiquitously present in living organisms. There is significant interest in understanding melatonin signal transduction pathways in humans, particularly due to its critical role in regulating the sleep-wake cycle. However, a knowledge gap remains in fully elucidating the mechanisms by which melatonin influences circadian regulation.
View Article and Find Full Text PDFImproving paraffin precipitate inhibition using glycine and Palm-based Methyl Ester Sulfonate (MES) eco-friendly inhibitors.
PLoS One
January 2025
Chemical & Petroleum Engineering Department, United Arab Emirates University, Al Ain, United Arab Emirates.
Oil fields located in cold environments and deep-sea locations often face challenges with paraffin wax buildup in pipelines during long-distance crude oil transportation. Various strategies have been employed to address this issue, with chemical methods being the most effective and economical. However, traditional chemical inhibitors present problems due to their high toxicity and low biodegradability, leading to increased operational costs and environmental concerns.
View Article and Find Full Text PDFStructural insights into the role of reduced cysteine residues in SOD1 amyloid filament formation.
Proc Natl Acad Sci U S A
February 2025
Department of Agricultural Biotechnology, and Research Institute of Agriculture and Life Sciences, CALS, Seoul National University, Seoul 08826, Republic of Korea.
The formation of superoxide dismutase 1 (SOD1) filaments has been implicated in amyotrophic lateral sclerosis (ALS). Although the disulfide bond formed between Cys57 and Cys146 in the active state has been well studied, the role of the reduced cysteine residues, Cys6 and Cys111, in SOD1 filament formation remains unclear. In this study, we investigated the role of reduced cysteine residues by determining and comparing cryoelectron microscopy (cryo-EM) structures of wild-type (WT) and C6A/C111A SOD1 filaments under thiol-based reducing and metal-depriving conditions, starting with protein samples possessing enzymatic activity.
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