AIMC Topic: Biological Products

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Sulfur-containing marine natural products as leads for drug discovery and development.

Current opinion in chemical biology May 29, 2023
Among the large series of marine natural products (MNPs), sulfur-containing MNPs have emerged as potential therapeutic agents for the treatment of a range of diseases. Herein, we reviewed 95 new sulfur-containing MNPs isolated during the period betwe...
Biological Products Proteolysis Artificial Intelligence Drug Discovery
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Artifical intelligence: a virtual chemist for natural product drug discovery.

Journal of biomolecular structure & dynamics May 26, 2023
Nature is full of a bundle of medicinal substances and its product perceived as a prerogative structure to collaborate with protein drug targets. The natural product's (NPs) structure heterogeneity and eccentric characteristics inspired scientists to...
Artificial Intelligence Machine Learning Biological Products Drug Design Intelligence Drug Discovery
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A deep learning and docking simulation-based virtual screening strategy enables the rapid identification of HIF-1α pathway activators from a marine natural product database.

Journal of biomolecular structure & dynamics Apr 10, 2023
Artificial Intelligence is hailed as a cutting-edge technology for accelerating drug discovery efforts, and our goal was to validate its potential in predicting pharmacological inhibitors of EGLN1 using a deep learning-based architecture, one of its ...
Humans Biological Products Molecular Dynamics Simulation Artificial Intelligence Molecular Docking Simulation Deep Learning
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Developing a Knowledge Graph for Pharmacokinetic Natural Product-Drug Interactions.

Journal of biomedical informatics Mar 17, 2023
BACKGROUND: Pharmacokinetic natural product-drug interactions (NPDIs) occur when botanical or other natural products are co-consumed with pharmaceutical drugs. With the growing use of natural products, the risk for potential NPDIs and consequent adve...
Pharmaceutical Preparations Drug Interactions Biological Products Pattern Recognition, Automated Semantics Biological Ontologies
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Machine learning combines atomistic simulations to predict SARS-CoV-2 Mpro inhibitors from natural compounds.

Molecular diversity Feb 24, 2023
To date, the COVID-19 pandemic has still been infectious around the world, continuously causing social and economic damage on a global scale. One of the most important therapeutic targets for the treatment of COVID-19 is the main protease (Mpro) of S...
Coronavirus 3C Proteases Biological Products Molecular Dynamics Simulation COVID-19 Drug Treatment Protease Inhibitors Molecular Docking Simulation Antiviral Agents SARS-CoV-2 Humans Machine Learning COVID-19
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Diversion Detection in Small-Diameter HDPE Pipes Using Guided Waves and Deep Learning.

Sensors (Basel, Switzerland) Dec 7, 2022
In this paper, we propose a novel technique for the inspection of high-density polyethylene (HDPE) pipes using ultrasonic sensors, signal processing, and deep neural networks (DNNs). Specifically, we propose a technique that detects whether there is ...
Polyethylene Culture Deep Learning Biological Products Neural Networks, Computer
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Machine-learning-based ground sink susceptibility evaluation using underground pipeline data in Korean urban area.

Scientific reports Dec 3, 2022
Ground subsidence caused by natural factors, including groundwater, has been extensively researched. However, there have been few studies on ground sink caused mainly by artifacts, including underground pipelines in urban areas. This paper proposes a...
Humans Asian People Machine Learning Republic of Korea Reproducibility of Results Biological Products Area Under Curve
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Artificial intelligence and machine learning applications in biopharmaceutical manufacturing.

Trends in biotechnology Sep 15, 2022
Artificial intelligence and machine learning (AI-ML) offer vast potential in optimal design, monitoring, and control of biopharmaceutical manufacturing. The driving forces for adoption of AI-ML techniques include the growing global demand for biother...
Neural Networks, Computer Algorithms Biological Products Artificial Intelligence Machine Learning
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Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NP.

Nature communications Jun 10, 2022
The complete biosynthetic pathways are unknown for most natural products (NPs), it is thus valuable to make computer-aided bio-retrosynthesis predictions. Here, a navigable and user-friendly toolkit, BioNavi-NP, is developed to predict the biosynthet...
Neural Networks, Computer Biosynthetic Pathways Algorithms Biological Products Deep Learning
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Data considerations for predictive modeling applied to the discovery of bioactive natural products.

Drug discovery today May 14, 2022
Natural products (NPs) constitute a large reserve of bioactive compounds useful for drug development. Recent advances in high-throughput technologies facilitate functional analysis of therapeutic effects and NP-based drug discovery. However, the larg...
Biological Products Drug Discovery Artificial Intelligence Drug Development
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