ArticleFrontiers in chemistry2020
A Definition of "Multitargeticity": Identifying Potential Multitarget and Selective Ligands Through a Vector Analysis.
Article in Frontiers in chemistry, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Multitarget Drug Design for Cardiovascular Disease: Bridging Chemistry and Medicine.ChemMedChem · 2026Review
- Epoxy-a-lapachone in nanosystem: a prototype drug for leishmaniasis assessed in the binomial BALB/c - Leishmania (Leishmania) amazonensis.Memorias do Instituto Oswaldo Cruz · 2024Article
- Multitarget Compounds for Neglected Diseases: A Review.Current drug targets · 2024Review
- Novel Multi-Target Agents Based on the Privileged Structure of 4-Hydroxy-2-quinolinone.Molecules (Basel, Switzerland) · 2023Article
- In Combo Studies for the Optimization of 5-Aminoanthranilic Acid Derivatives as Potential Multitarget Drugs for the Management of Metabolic Syndrome.Pharmaceuticals (Basel, Switzerland) · 2022Article
- The Antidepressant-like Activity, Effects on Recognition Memory Deficits, Bioavailability, and Safety after Chronic Administration of New Dual-Acting Small Compounds Targeting Neuropsychiatric Symptoms in Dementia.International journal of molecular sciences · 2022Article
- Structural deformability induced in proteins of potential interest associated with COVID-19 by binding of homologues present in ivermectin: Comparative study based in elastic networks models.Journal of molecular liquids · 2021Article
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Authors and funding
4 authors.
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Abstract
The design of multitarget drugs is an essential area of research in Medicinal Chemistry since they have been proposed as potential therapeutics for the management of complex diseases. However, defining a multitarget drug is not an easy task. In this work, we propose a vector analysis for measuring and defining "multitargeticity." We developed terms, such as order and force of a ligand, to finally reach two parameters: multitarget indexes 1 and 2. The combination of these two indexes allows discrimination of multitarget drugs. Several training sets were constructed to test the usefulness of the indexes: an experimental training set, with real affinities, a docking training set, within theoretical values, and an extensive database training set. The indexes proved to be useful, as they were used independently
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