ORIGINAL RESEARCH
Published on 09 May 2025
Target screening and optimization of candidate compounds for breast cancer treatment using bioinformatics and computational chemistry approaches
doi 10.3389/fphar.2025.1467504
- 586 views
- Frontiers in Pharmacology
- Experimental Pharmacology and Drug Discovery
- Research Topics
- Approaches to improve the performance of virtual screening: scoring functions, structural filtration, prediction of physicochemical properties/pharmacological activity
Approaches to improve the performance of virtual screening: scoring functions, structural filtration, prediction of physicochemical properties/pharmacological activity
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ORIGINAL RESEARCH
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Pharmacophore-based virtual screening and in silico investigations of small molecule library for discovery of human hepatic ketohexokinase inhibitors for the treatment of fructose metabolic disorders
doi 10.3389/fphar.2025.1531512
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doi 10.3389/fphar.2024.1518810
- 1,137 views
- 1 citation
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A computational assay for identifying millet-derived compounds that antagonize the interaction between bisphenols and estrogen-related receptor gamma
doi 10.3389/fphar.2024.1435254
- 1,304 views
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doi 10.3389/fphar.2024.1422080
- 1,222 views
ORIGINAL RESEARCH
Published on 23 May 2024
Fragment-based virtual screening identifies novel leads against Plasmepsin IX (PlmIX) of Plasmodium falciparum: Homology modeling, molecular docking, and simulation approaches
doi 10.3389/fphar.2024.1387629
- 1,441 views
- 3 citations
