Anti-BioEn: An advanced framework for accurate bioactive agent classification based on hybrid models and graph feature encoding method

BIO Web of Conferences, Journal Year: 2025, Volume and Issue: 163, P. 01007 - 01007

Published: Jan. 1, 2025

Bioactive agents are compounds that have an influence on human beings, organs, or tissues. These agents, which might be found in both natural and synthetic chemicals, able to interact with biological systems produce a variety of therapeutic responses. In this regard, work proposes stacking method for categorizing five important bioactive agents: antibacterial, anti-HIV, antioxidant, antiparasitic, antiprotozoal. This study has been designed graph-based feature extraction approach successfully captures intricate interactions between molecular structures substances. extracted characteristics were then put into strategy, is strong ensemble learning technique leverages the capabilities several machine models improve classification accuracy. By utilizing innovative technique, model outperformed state-of-the-art methods across all assessment criteria more than 85% terms The findings demonstrate efficacy conjunction model, making it useful tool detecting chemicals such as antiprotozoal drug development, hence facilitating development novel essential health applications.

Language: Английский

Antiparasitic and Antifungal Activities of Cetyl-Maritima, a New N-Cetyl-Modified Maritima Derivative

Antibiotics, Journal Year: 2025, Volume and Issue: 14(3), P. 321 - 321

Published: March 19, 2025

Background/Objectives: New drugs are urgently needed for the treatment of neglected tropical diseases including leishmaniasis and eumycetoma, as well globally occurring parasitic such toxoplasmosis. Fragrances, both natural synthetic, were shown to be a rich source development new anti-infectives warrant deeper investigations. Exemplarily, we synthetically optimized fragrance 4-(4,8-dimethyl-3,7-nonadienyl)-pyridine, a.k.a. Maritima, pyridine derivative with marine odor. Methods: A cationic N-cetyl-modified Maritima (dubbed Cetyl-Maritima), obtained by alkylation was tested its activity against Madurella mycetomatis (M. mycetomatis) fungi, Toxoplasma gondii (T. gondii) Leishmania major (L. major) protozoal parasites. Results: Cetyl-Maritima found more strongly antifungal than parent known antibiotic cetylpyridinium salt. also showed similar T. parasites and, most notably, exhibited sub-micromolar L. amastigotes. Conclusions: The considerable antileishmanial might lead potent cost-effective drug candidate therapy other infectious caused kinetoplastid

Language: Английский