Background: Benzimidazole derivatives are promising compounds for the treatment of parasitic infections. The structure-activity relationships of 91 benzimidazoles with activity against Trichomonas vaginalis and Giardia intestinalis were analyzed using a novel activity landscape modeling approach.
Results: We identified two prominent cases of 'activity switches' and 'selectivity switches' where two R group substitutions in the benzimidazole scaffold completely invert the activity and selectivity pattern for T. vaginalis and G. intestinalis.
Conclusion: A chemoinformatic methodology was used to rapidly identify discrete structural changes around the central scaffold that are associated with large changes in biological activity for each parasite. The structure-activity relationships for the benzimidazole derivatives is smooth for both protozoan with few but markedly important activity cliffs.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.4155/fmc.13.173 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
[In vitro comparison of antibacterial efficacy of nonadherent antimicrobial dressings].
Klin Mikrobiol Infekc Lek
June 2023
Department of Clinical Microbiology, Pardubice Hospital, Czech Repubic, e-mail:
Objectives: The use of nonadherent dressings is part of care for chronic wounds. In this paper, we present the results of in vitro activity of several such dressings on bacteria most commonly found in chronic wounds.
Material And Methods: Selected bacterial strains were isolated from chronic wounds of patients in Pardubice Hospital in the period from February to May 2022.
Selective progesterone receptor modulators for the treatment of dysmenorrhea: an update.
Expert Opin Pharmacother
January 2025
Department of Obstetrics and Gynecology, University of Florence, Careggi University Hospital, Florence, Italy.
Introduction: Dysmenorrhea is a painful symptom associated with uterine contractions and menstrual bleeding and is treated by administering analgesic drugs. Since progesterone receptors (PRs) have a major role in regulating uterine tissues (myometrium and endometrium) oral contraceptives are used off-label for treating primary or secondary dysmenorrhea. The development of selective progesterone receptor modulators (SPRMs) a class of synthetic steroids with agonistic, antagonistic, or mixed effects in targeting PRs in different tissues stimulated their possible clinical use for treating secondary dysmenorrhea related to uterine diseases (endometriosis, adenomyosis, uterine fibroids).
View Article and Find Full Text PDFBuparlisib and Paclitaxel in Patients with Head and Neck Squamous Cell Carcinoma: Immunogenomic Biomarkers of Efficacy from the BERIL-1 Study.
Target Oncol
January 2025
Hematology-Oncology Service, Department of Medicine, Centre hospitalier de l'Université de Montréal (CHUM), 1000, rue Saint-Denis, Montreal, QC, Canada.
Background: BERIL-1 was a randomized phase 2 study that studied paclitaxel with either buparlisib, a pan-class I PIK3 inhibitor, or placebo in patients with recurrent or metastatic (R/M) head and neck squamous cell cancer (HNSCC). Considering the therapeutic paradigm shift with immune checkpoint inhibitors (ICIs) now approved in the first-line setting, we present an updated immunogenomic analysis of patients enrolled in BERIL-1, including patients with immune-infiltrated tumors.
Objective: The objective of this study was to identify biomarkers predictive of treatment efficacy in the context of the post-ICI therapeutic landscape.
[C]MK-6884 PET imaging reveals lower M muscarinic acetylcholine receptor availability following cocaine self-administration in male rats.
Pharmacol Rep
January 2025
Department of Translational Neuroscience, Center for Addiction Research, Wake Forest University School of Medicine, 115 South Chestnut St, Winston-Salem, NC, 27101, USA.
Background: Cocaine Use Disorder (CUD) remains a significant problem in the United States, with high rates of relapse and no present FDA-approved treatment. The acetylcholine neurotransmitter system, specifically through modulation of muscarinic acetylcholine receptor (mAChR) function, has shown promise as a therapeutic target for multiple aspects of CUD. Enhancement of the M mAChR subtype via positive allosteric modulation has been shown to inhibit the behavioral and neurochemical effects of cocaine across several rodent models of CUD.
View Article and Find Full Text PDFBlockchain-enabled digital twin system for brain stroke prediction.
Brain Inform
January 2025
Department of Computing, Glasgow Caledonian University, Glasgow, G4 0BA, Scotland.
A digital twin is a virtual model of a real-world system that updates in real-time. In healthcare, digital twins are gaining popularity for monitoring activities like diet, physical activity, and sleep. However, their application in predicting serious conditions such as heart attacks, brain strokes and cancers remains under investigation, with current research showing limited accuracy in such predictions.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!