Journal of chemical information and modeling
36373285
Malaria is a threatening disease that has claimed many lives and has a high prevalence rate annually. Through the past decade, there have been many studies to uncover effective antimalarial compounds to combat this disease. Alongside chemically synth...
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...
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 ...
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...
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...
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...
Journal of biomolecular structure & dynamics
37038705
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 ...
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...
Journal of biomolecular structure & dynamics
37232451
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...
Cycling of biologic or targeted synthetic disease modifying antirheumatic drugs (b/tsDMARDs) in rheumatoid arthritis (RA) patients due to non-response is a problem preventing and delaying disease control. We aimed to assess and validate treatment res...