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Computable properties of selected monomeric acylphloroglucinols with anticancer and/or antimalarial activities and first-approximation docking study.
J Mol Model
March 2025
Faculty of Science, Engineering and Agriculture, University of Venda, University Road, Thohoyandou, 0950, South Africa.
Context: Malaria and cancer tend to become drug-resistant a few years after a drug is introduced into clinical use. This prompts the search for new molecular structures that are sufficiently different from the drugs for which resistance has developed. The present work considers eight selected acylphloroglucinols (ACPLs) with proven antimalarial and/or anticancer activities.
View Article and Find Full Text PDFPhytochemical baicalin potentially inhibits Bcl-2 and VEGF: an approach.
Front Bioinform
February 2025
Sharda School of Pharmacy, Sharda University, Greater Noida, Uttar Pradesh, India.
Background: The rising prevalence of cancer cells exhibits uncontrolled growth and invasive and aggressive properties, leading to metastasis, which poses a significant challenge for global health. Central to cancer development are proteins such as NF-kB, p53, VEGF, and BAX/Bcl-2, which play important roles in angiogenesis, cell apoptosis regulation, and tumor growth.
Methodology: This study evaluates the activity of six different natural as well as novel therapeutic strategies against cancer.
Identifying novel inhibitors against drug-resistant mutant CYP-51 Candida albicans: A computational study to combat fungal infections.
PLoS One
March 2025
Department of Plant Breeding and Genetics, Faculty of Agricultural Sciences, University of the Punjab, Lahore, Pakistan.
Candida albicans (C. albicans) is an opportunistic pathogen in immunocompromised individuals and a normal inhabitant of the oral cavity, throat, gastrointestinal tract, and genitourinary system among health populations. Our study focused on identifying new inhibitors capable of binding to the mutant cytochrome P450 family 51 (CYP-51) protein and intended to be effective against resistant C.
View Article and Find Full Text PDFThe microbiome-restorative potential of ibezapolstat for the treatment of infection is predicted through variant PolC-type DNA polymerase III in Lachnospiraceae and Oscillospiraceae.
Antimicrob Agents Chemother
February 2025
Department of Pharmacy Practice and Translational Research, University of Houston, Houston, Texas, USA.
Ibezapolstat (IBZ), a first-in-class antibiotic targeting the PolC-type DNA polymerase III alpha-subunit (PolC) in low G + C bacteria, is in clinical development for the treatment of infection (CDI). In the phase 2 trials, IBZ had potent activity against while sparing or causing regrowth of Lachnospiraceae, Oscillospiraceae, and Erysipelotrichales, common commensal low G + C bacteria. The purpose of this study was to utilize approaches to better interpret the narrower than expected IBZ spectrum of activity.
View Article and Find Full Text PDFMolecular Maestro in the Lung: The Sphingolipid Rheostat.
Am J Respir Cell Mol Biol
February 2025
Baylor College of Medicine, Medicine, Houston, Texas, United States.
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