This article was previously published in Cancer Biol Ther 2(4):452-455. Discovering drugs has never been an easy task. Traditionally, this task has exclusively been undertaken by large pharmaceutical companies that recovered their high RD costs by selling expensive medications. Despite the huge amount of time and effort devoted towards drug discovery over the last decade, the successful therapy of cancer has been limited. There are signs that the approach of how to discover drugs might change, especially in the field of cancer. Recently, several academic institutions have started to develop their own drug discovery programs. By pointing out the critical elements of the cancer drug discovery process, we examine why it would not be a surprise if some future cancer drugs will come out of academic research institutions and complement the ones developed by big pharma.
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Org Lett
January 2025
Department of Pharmaceutical Sciences, Daniel K. Inouye College of Pharmacy, University of Hawai'i at Hilo, Hilo, Hawai'i 96720, United States.
A novel sesquiterpene lactone derivative, vernonolide A (), featuring an unprecedented carbon skeleton, along with its plausible biosynthetic precursor, vercinolide I (), and eight known sesquiterpene lactones (-) were isolated and characterized from the whole plants of (L.). The structures of and were elucidated using nuclear magnetic resonance spectroscopic analysis and calculated and experimental electronic circular dichroism spectra.
View Article and Find Full Text PDFMol Inform
January 2025
Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571, Japan.
Recent advances in machine learning have significantly impacted molecular design, notably the molecular generation method combining the chemical variational autoencoder (VAE) with Gaussian mixture regression (GMR). In this method, a mathematical model is constructed with X as the latent variable of the molecule and Y as the target properties and activities. Through direct inverse analysis of this model, it is possible to generate molecules with the desired target properties.
View Article and Find Full Text PDFBiomed Chromatogr
February 2025
School of Pharmaceutical Sciences, Jilin University, Changchun, People's Republic of China.
Previous studies have suggested that ginsenoside Rg glycine ester derivative (RG) exhibits therapeutic potential in mitigating hypoxia. This study aimed to elucidate the potential mechanism of RG in hypoxia injury through a combined approach of metabolomics and network pharmacology. Initially, a CoCl-induced cell hypoxia model was established, and the therapeutic impact of RG on biochemical indices was evaluated.
View Article and Find Full Text PDFExpert Opin Drug Deliv
January 2025
Advanced Drug Delivery, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield, UK.
Introduction: mRNA therapeutics were a niche area in drug development before COVIDvaccines. Now they are used in vaccine development, for non-viral therapeuticgenome editing, chimericantigen receptor T (CAR T) celltherapies and protein replacement. mRNAis large, charged, and easily degraded by nucleases.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Pharmaceutical Chemistry Research Laboratory 1, Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology (Banaras Hindu University), Varanasi, India.
Cyclooxygenase-2 (COX-2) is an enzyme that plays a crucial role in inflammation by converting arachidonic acid into prostaglandins. The overexpression of enzyme is associated with conditions such as cancer, arthritis, and Alzheimer's disease (AD), where it contributes to neuroinflammation. In silico virtual screening is pivotal in early-stage drug discovery; however, the absence of coding or machine learning expertise can impede the development of reliable computational models capable of accurately predicting inhibitor compounds based on their chemical structure.
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