ADME-tox prediction of drugs using Molecular Topology.
We study the mechanisms responsible for the toxicity of antiretroviral therapy in different organs and tissues, with special emphasis on three of the main adverse effects associated with this treatment: liver toxicity, metabolic alterations and neurotoxicity.
The excipients used to transport active substances (both in therapeutics and cosmetics) are not inert. They can promote or delay absorption and as such, they shape the bioavailability in speed and magnitude of the molecules of interest. It is very important to validate this role in order to optimise the form of administration. Two objectives delimit the line: on the one hand, to describe the effect of the most commonly used vehicles and, on the other hand, to prepare nuts that improve the capacity to increase or decrease absorption depending on the systemic or topical target, respectively. The research group collaborates with other institutions (University of Saarland-Germany and University of Rio Grande do Sul-Brazil, mainly) in the preparation and characterisation of the vehicles. It is responsible for the release studies and the mathematical modelling of the kinetics, which allows the optimisation of the material. He also carries out stability studies.
Development and evaluation of drug microparticles and nanoparticles.
Development of new therapeutic strategies for the treatment of relapse in alcoholic patients. Pre-clinical trials with D-Penicillamine, a sequestering agent of an ethanol metabolite, the acetaldehyde.
Understanding the absorption process is an indisputable way to effectively modulate the bioavailability of drugs and to achieve optimisation of the dosage form. The line comprises in vitro and in vivo studies of absorption of different substances, in free solution and in the presence of additives. The process is characterised kinetically to infer the mechanisms underlying the absorption of pharmacologically active molecules and to describe, at a later stage, the effect produced by the excipients of the dosage forms. The conclusions are tested by bioavailability studies. The ultimate aim is to describe strategies for vectoring the drug to the target tissue, in adequate quantity and speed for optimal effect, while reducing distribution to the rest of the body, leading to reduced side effects and improved safety.
Study of drug-drug interactions at the level of metabolic processes.
In the early stages of drug development, it is very important to apply tools that minimise the use of animals due to ethical considerations and are also an alternative to reduce the cost of studies. With the understanding provided by the group's track record, LADME process modelling techniques are a very important strategy to identify the substances with the best biopharmaceutical properties among large series of compounds. They are based on molecular descriptors that can be derived mathematically. At the same time, they allow targeting modifications of bioactive molecules that simultaneously lead to interesting changes as drugs (reduced toxicity, increased solubility in biological fluids, increased stability).
Basis of the inflammatory process. Anti-inflammatory drugs. New approaches to the treatment of inflammatory diseases. Arthritis. Osteoarthritis. Osteoporosis
Study of medicinal plants, the structure of plant organs and the substances that provide medicinal, toxic or bromatological proprieties. This study is oriented towards the rational use of resources and its results can be directly applied to health, industry and agriculture.
We study the mechanisms that regulate gastrointestinal mucosal recovery in chronic inflammatory pathologies (e.g. IBD), in particular how macrophages, cells of the innate immune system that accumulate in the mucosa of patients with this pathology, modulate these mechanisms.
Pharmacokinetic evaluation of drugs administered intravenously, orally and through the skin, especially those with bioavailability problems and/or plasma concentrations with high variability and which correlate poorly with the dose administered.
Predicting adverse drug effects using Molecular Topology.
Galenic development, preferably modified-release oral and topical dosage forms. Evaluation of transdermal administration with iontophoresis. The studies help to guide the selection of the adjuvant substances used in the formulation of…
Skin inflammation, psoriasis, wound healing.
Study of the anti-inflammatory activity of products present in plants used in ethnopharmacology for their medicinal properties in experimental models of inflammation.
Search for new drugs for colon cancer using Molecular Topology.
Search for new drugs for orphan diseases (antiparasitic and antiprotozoal drugs) using Molecular Topology.
Application of topological methods and artificial neural networks to the selection of new structures with antifungal activity and subsequent in vitro analysis against different pathogenic strains.
We study the mechanisms responsible for the vascular toxicity described for some antiretroviral drugs. We have analysed the effect of the most commonly used antiretroviral drugs on leukocyte-endothelium interaction as a first step in the development of vascular pathologies.
Search for new compounds, of natural and synthetic origin, potentially effective against ulcerative colitis, applying Molecular Topology.
