Developing new drugs from marketed ones is a well-established and successful approach in drug discovery. We offer a unified view of this field, focusing on the new chemical aspects of the involved approaches: (a) chemical transformation of the origin...
The presence of pharmaceutical and personal care products (PPCPs) in the environment poses a significant threat to environmental resources, given their potential risks to ecosystems and human health, even in trace amounts. While mathematical modellin...
Drug-Target interaction (DTI) prediction, a transformative approach in pharmaceutical research, seeks novel therapeutic applications for computational method based virtual screening, existing drugs to address untreated diseases and discovery of exist...
Interdisciplinary sciences, computational life sciences
Oct 9, 2024
The concurrent use of multiple drugs may result in drug-drug interactions, increasing the risk of adverse reactions. Hence, it is particularly crucial to propose computational methods for precisely identifying unknown drug-drug interactions, which is...
IEEE/ACM transactions on computational biology and bioinformatics
Oct 9, 2024
Accurate prediction of Drug-Target binding Affinity (DTA) is a daunting yet pivotal task in the sphere of drug discovery. Over the years, a plethora of deep learning-based DTA models have emerged, rendering promising results in predicting the binding...
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
Oct 6, 2024
Liquisolid systems (LS) represent a formulation approach where liquid drug or its dispersion is transformed into a powder with good flowability and compactibility, leading to enhanced drug dissolution and bioavailability. Many research groups have fo...
The human microbiome plays a key role in drug development and precision medicine, but understanding its complex interactions with drugs remains a challenge. Identifying microbe-drug associations not only enhances our understanding of their mechanisms...
Journal of chemical information and modeling
Sep 26, 2024
Identifying drug-related microbes may help us explore how the microbes affect the functions of drugs by promoting or inhibiting their effects. Most previous methods for the prediction of microbe-drug associations focused on integrating the attributes...
International journal of pharmaceutics
Sep 16, 2024
The manufacturing of pharmaceutical solid dosage forms, such as tablets involves a large number of successive processing operations including crystallisation of the drug substance, granulation, drying, milling, mixing of the formulation, and compacti...
BACKGROUND: Accurately identifying drug-target affinity (DTA) plays a pivotal role in drug screening, design, and repurposing in pharmaceutical industry. It not only reduces the time, labor, and economic costs associated with biological experiments b...