Generosa Gómez
University of Vigo
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Publication
Featured researches published by Generosa Gómez.
Tetrahedron Letters | 2003
Yagamare Fall; Beatriz Vidal; David Alonso; Generosa Gómez
We describe an efficient new approach for the synthesis of seven-membered oxacycles that is based on the oxidation of a furan ring with singlet oxygen followed by an intramolecular Michael addition.
European Journal of Medicinal Chemistry | 2011
Giuseppe Ermondi; Giulia Caron; Isela Garcia Pintos; Michela Gerbaldo; Manuel Pérez; Daniel I. Perez; Zoila Gándara; Ana Martinez; Generosa Gómez; Yagamare Fall
VolSurf+ and GRIND descriptors extract the information present in MIFs calculated by GRID: the first are simpler to interpret and generally applied to ADME-Tox topics, whereas the latter are more sophisticated and thus more suited for pharmacodynamics events. Here we present a study which compares binary QSAR models obtained with VolSurf+ descriptors and GRIND for a data set of non-ATP competitive GSK-3β inhibitors chemically related to palinurin for which the biological activity is expressed in binary format. Results suggest not only that the simpler Volsurf+ descriptors are good enough to predict and chemically interpret the investigated phenomenon but also a bioactive conformation of palinurin which may guide future design of ATP non-competitive GSK-3 inhibitors.
Current Pharmaceutical Design | 2010
Isela García; Yagamare Fall; Generosa Gómez
GSK-3 inhibitors are interesting candidates to develop Anti-Alzheimer compounds. GSK-3β are also interesting as Anti-parasitic compounds active against Plasmodium falciparum, Trypanosoma brucei, and Leishmania donovani; the causative agents for Malaria, African Trypanosomiasis and Leishmaniosis. The high number of possible candidates creates the necessity of Quantitative Structure-Activity Relationship models in order to guide the GSK3 (glycogen synthase kinase 3 inhibitor) synthesis. In this work, we revised different computational studies for a very large and heterogeneous series of GSK-3Is. First, we revised QSAR studies with conceptual parameters such as flexibility of rotation, probability of availability, etc. we then used the method of regression analysis and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we reviewed 3D-QSAR, CoMFA and CoMSIA with different compounds to find out the structural requirements for GSK-3 inhibitory activity.
Bioorganic & Medicinal Chemistry | 2009
Isela García; Cristian R. Munteanu; Yagamare Fall; Generosa Gómez; Eugenio Uriarte; Humberto González-Díaz
Efficient drugs such as statins or mevinic acids are inhibitors of the rate-limiting enzyme of cholesterol biosynthesis, 3-hydroxy-3-methyl-glutaryl coenzyme A reductase (HMGR), an enzyme responsible for the double reduction of 3-hydroxy-3-methyl-glutaryl coenzyme A into mevalonic acid. These compounds promoted the synthesis and evaluation of new inhibitors for HMGR, named HMGRIs. The high number of possible candidates creates the necessity of Quantitative Structure-Activity Relationship models in order to guide the HMGRI synthesis. There are two main problems of the reported QSAR models: the homogeneous series of the compounds and the chirality of many candidates. In this work, we propose for the first time a QSAR model for a very large and heterogeneous series of HMGRIs. The model is based on the Topological Indices (TIs) of molecular structures. Using the predictions of this model as input, we construct the first complex network that describes the drug-drug similarity relationships for more than 1600 experimentally non-explored chiral HMGRIs isomers. We also presented a reduced version of this network (Giant Component) that contains the most representative set of chiral HMGRI candidates. The work suggests a new mixed application in the QSAR study of relevant aspects of structural diversity by using chiral/non-chiral TIs, combined with complex networks.
Steroids | 2006
Maykel Pérez González; Miguel Puente; Yagamare Fall; Generosa Gómez
The Radial Distribution Function (RDF) approach has been applied to the study of the chick intestinal VDR affinity of 49 Vitamin D analogues. A model able to describe more than 77.5% of the variance in the experimental activity was developed with the use of the mentioned approach. In contrast, none of four different approaches, including the use of Topological, BCUT, Randić molecular profiles and Geometrical descriptors were able to explain more than 55% of the variance in the mentioned property, with the same number of variables in the equation.
Tetrahedron Letters | 1999
Yagamare Fall; Generosa Gómez; Carlos Fernandez
Abstract An efficient new approach for the synthesis of seven-mem bered oxacycles is described.
Tetrahedron | 1998
María Isabel Nieto; JoséM. Blanco; Olga Caamaño; Franco Fernández; Generosa Gómez
Abstract The title aminomethyl ( 5 ) and amino ( 6 ) alcohols, which are of interest as intermediates in the synthesis of carbocyclic analogues of nucleosides, were prepared from (+)-camphoric acid via methyl (1 S ,3 R )-3-carbamoyl-2,3,3-trimethylcyclopentane carboxylate ( 8 ). Direct reduction of 8 gave 5 in 26% yield. Amino alcohol 6 was prepared in 11–53% overall yields by several approaches, each involving oxidative degradation of 8 followed by a reduction step.
Tetrahedron-asymmetry | 1992
José M. Blanco; Olga Caamaño; Franco Fernández; Generosa Gómez; Carmen López
Abstract A convenient method for the preparation of chiral alkanesulfonyl cyanides, by oxidation of readily available alkyl thiocyanates with m -ClC 6 H 4 CO 3 H, has been developed.
Current Drug Metabolism | 2010
Isela García; Yagamare Fall; Generosa Gómez
Efficient drugs such as statins or mevinic acids are inhibitors of the rate-limiting enzyme of cholesterol biosynthesis, 3-hydroxy-3-methyl-glutaryl coenzyme A reductase (HMGR), an enzyme responsible for the double reduction of 3-hydroxy-3-methyl-glutaryl coenzyme A. These compounds promoted the synthesis and evaluation of new inhibitors for HMGR, named HMGRIs. The high number of possible candidates creates the necessity of Quantitative Structure-Activity Relationship models in order to guide the HMGRI (3-hydroxy-3-methyl-glutaryl coenzyme A inhibitor) synthesis. In this work, we revised different computational studies for a very large and heterogeneous series of HMGRIs. First, we revised QSAR studies with conceptual parameters such as flexibility of rotation, probability of availability, etc; we then used the method of regression analysis; and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we reviewed 3D QSAR, CoMFA and CoMSIA with different compounds to find out the structural requirements for 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitory activity.
Current Topics in Medicinal Chemistry | 2012
Isela García; Yagamare Fall; Generosa Gómez
Effective as statin drugs or acids are inhibitors mevinic limiting enzyme in cholesterol biosynthesis, 3-hydroxy- 3-methyl-glutaryl coenzyme A-3-hydroxy-3-reductase (HMGR), an enzyme responsible for the reduction the double methyl-glutaryl coenzyme A. These compounds promoted the synthesis and evaluation of new inhibitors of HMGR, called HMGRIs. The high number of potential candidates need to create models of quantitative structure-activity relationship in order to guide the HMGRI (3-hydroxy-3-methyl-glutarylcoenzyme A inhibitor) synthesis. In this work, we revised different computational studies for a very large and heterogeneous series of HMGRIs. First, we revised QSAR studies with conceptual parameters how flexibility of rotation, probability of availability, etc; Next, using method of regression analysis; and QSAR studies in order to understand the essential structural requirement for binding with receptor. Next, we review 3D QSAR, CoMFA and CoMSIA with different compound to find out the structural requirements for 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitory activity.