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Open AccessMachine learning driven web-based app platform for the discovery of monoamine oxidase B inhibitors
Monoamine oxidases (MAOs), specifically MAO-A and MAO-B, play important roles in the breakdown of monoamine neurotransmitters. Therefore, MAO inhibitors are crucial for treating various neurodegenerative disor...
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Article
Open AccessPredicting the molecular mechanism-driven progression of breast cancer through comprehensive network pharmacology and molecular docking approach
Identification of key regulators is a critical step toward discovering biomarker that participate in BC. A gene expression dataset of breast cancer patients was used to construct a network identifying key regu...
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Article
Probing the origins of programmed death ligand-1 inhibition by implementing machine learning-assisted sequential virtual screening techniques
PD-L1 is a key immunotarget involved in binding to its receptor PD-1. PD-L1/PD-1 interface blocking using antibodies (or small molecules) is the central area of interest for tumor suppression in various cancer...
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Article
Identification of potential inhibitor against Ebola virus VP35: insight into virtual screening, pharmacoinformatics profiling, and molecular dynamic studies
The Ebola virus is a deadly pathogen that causes a highly lethal hemorrhagic fever illness in humans, sometimes known as Ebola virus sickness (EVD). The Ebola virus polymerase cofactor VP35 acts by preventing ...
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Article
Open AccessIdentification, analysis of deleterious SNPs of the human GSR gene and their effects on the structure and functions of associated proteins and other diseases
Hereditary glutathione reductase deficiency, caused by mutations of the GSR gene, is an autosomal recessive disorder characterized by decreased glutathione disulfide (GSSG) reduction activity and increased therma...
