Browse Articles

Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Zhou et al. | Nov 17, 2022

Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Here, based on the identification of androgapholide as a potential therapeutic treatment against cancer, Alzheimer's disease, diabetes, and multiple sclerosis, due to its ability to inhibit a signaling pathway in immune system function, the authors sought ways to optimize the natural product human systems by manipulating its chemical structure. Through the semisynthesis of a natural product along with computational studies, the authors developed an understanding of the kinetic mechanisms of andrographolide and semisynthetic analogs in the context of Michael additions.

Read More...

Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad-spectrum antibiotics

Sun et al. | May 10, 2021

Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad-spectrum antibiotics

We hypothesize that berberine has broad-spectrum antibacterial properties, along with potency that is comparable to current broad-spectrum antibiotics that are commercially available. Here, we screened berberine against four strains of bacteria and evaluated its antimicrobial activity against five broad-spectrum antibiotics from different classes to better quantify berberine’s antibacterial activity and compare its efficacy as an antibacterial agent to the broad-spectrum antibiotics. Our results indicated that berberine had strain-selective cytotoxic effects and was significantly less potent than most of the broad-spectrum antibiotics

Read More...

Identifying shark species using an AlexNet CNN model

Sarwal et al. | Sep 23, 2024

Identifying shark species using an AlexNet CNN model

The challenge of accurately identifying shark species is crucial for biodiversity monitoring but is often hindered by time-consuming and labor-intensive manual methods. To address this, SharkNet, a CNN model based on AlexNet, achieved 93% accuracy in classifying shark species using a limited dataset of 1,400 images across 14 species. SharkNet offers a more efficient and reliable solution for marine biologists and conservationists in species identification and environmental monitoring.

Read More...

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

Read More...