A5048056798- Neuroscience and Neuropharmacology Research
- Computational Drug Discovery Methods
- Research on Leishmaniasis Studies
- Trypanosoma species research and implications
- Natural product bioactivities and synthesis
- Genomics, phytochemicals, and oxidative stress
- Synthesis and Biological Evaluation
- Parasitic Infections and Diagnostics
- HIV/AIDS drug development and treatment
- Inflammatory mediators and NSAID effects
- Antioxidant Activity and Oxidative Stress
- Chemokine receptors and signaling
- Essential Oils and Antimicrobial Activity
- Biochemical and Molecular Research
- Drug Transport and Resistance Mechanisms
- Pharmacological Effects and Toxicity Studies
- Carbon dioxide utilization in catalysis
- Epilepsy research and treatment
- Phenothiazines and Benzothiazines Synthesis and Activities
- Amoebic Infections and Treatments
- Venomous Animal Envenomation and Studies
- Melanoma and MAPK Pathways
- Enzyme function and inhibition
- Ion Channels and Receptors
- Lipid Membrane Structure and Behavior
Autonomous University of Queretaro
2015-2024
Tribunal Electoral del Estado de México
2018
Universidad Nacional Autónoma de México
2011-2013
Synaptic vesicle protein 2A (SV2A) is an integral membrane necessary for the proper function of central nervous system and associated to physiopathology epilepsy. SV2A molecular target anti-epileptic drug levetiracetam its racetam analogs. The binding site in non-covalent interactions between racetams are currently unknown; therefore, silico study was performed explore these issues. Since has not been structurally characterized with X-ray crystallography or nuclear magnetic resonance, a...
The present research aimed to isolate the non-polar secondary metabolites that produce vasodilator effects induced by dichloromethane extract of Prunus serotina (P. serotina) fruits and determine whether NO/cGMP H2S/KATP channel pathways are involved in their mechanism action. A bioactivity-directed fractionation P. led isolation ursolic acid uvaol as main compounds. These compounds showed significant relaxant effect on rat aortic rings an endothelium- concentration-dependent manner, which...
The AKT isoforms are a group of key kinases that play critical role in tumorigenesis. These enzymes overexpressed different types cancers, such as breast, colon, prostate, ovarian, and lung. Because its relevance the attractive targets for design anticancer molecules. However, it has been found AKT1 AKT3 have main tumor progression metastasis; thus, identification specific inhibitors seems to be challenge. Previously, we identified an ATP binding pocket pan-AKT inhibitor, this compound is...
Epilepsy is a neurological disorder in which it has been shown that the presence of oxidative stress (OS) implicated epileptogenesis. The literature some antiseizure drugs (ASD) have neuroprotective properties. Levetiracetam (LEV) drug commonly used as an ASD, and studies, found to possess antioxidant Because effects LEV not demonstrated chronic phase epilepsy, objective this study was evaluate, for first time, on oxidant-antioxidant status hippocampus rats with temporal lobe epilepsy (TLE)....
Parkinson´s disease is the most important neuromotor pathology due to prominent loss of dopaminergic neurons in substantia nigra pars compacta. There an inherent deficiency dopamine disease, which aggravated when neuroinflammatory processes are present. Several biomolecules interesting candidates for regulation inflammation and possible neuroprotection, such as valerenic acid, one main components Valeriana officinalis. A 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride...
Multidrug resistance protein-4 (MRP4) belongs to the ABC transporter superfamily and promotes transport of xenobiotics including drugs. A non-synonymous single nucleotide polymorphisms (nsSNPs) in ABCC4 gene can promote changes structure function MRP4. In this work, interaction certain endogen substrates, drug inhibitors with wild type-MRP4 (WT-MRP4) its variants G187W Y556C were studied determine differences intermolecular interactions affinity related SNPs using protein threading modeling,...
We report synthesis, characterization, biological evaluation, and molecular-docking studies of 18 thieno[2,3-b]pyridines with a phenylacetamide moiety at position 2, which is disubstituted F, Cl, Br, or I 4, electron-withdrawing electron-donating groups (-CN, -NO2, -CF3, -CH3) to study how the electronic properties substituents affected FOXM1-inhibitory activity. Among compounds 1-18, only those bearing -CN (regardless halogen) decreased FOXM1 expression in triple-negative breast cancer cell...
Cordycepin, or 3′-deoxyadenosine, is an adenosine analog with a broad spectrum of biological activity. The key structural difference between cordycepin and lies in the absence hydroxyl group at 3′ position ribose ring. Upon administration, can undergo enzymatic transformation specific tissues, forming triphosphate. In this study, we conducted comprehensive analysis features its derivatives, contrasting them endogenous purine-based metabolites using chemoinformatics bioinformatics tools...
Cruzain has been identified as the major cysteine protease of Trypanosoma cruzi, etiological cause Chaga's disease. For this reason, many efforts have undertaken to design new inhibitors against enzyme. Recently, molecules having a purine or triazine nucleus reported potent non-peptidic cruzain. In order gain an insight into structural requirements that can lead improvement activity these molecules, in paper we report CoMFA and CoMSIA studies series purine-carbonitriles cruzain inhibitors....
Recently, our research group demonstrated that uvaol and ursolic acid increase NO H₂S production in aortic tissue. Molecular docking studies showed both compounds bind with high affinity to endothelial synthase (eNOS) cystathionine gamma-lyase (CSE). The aim of this study was identify hits binding for the triterpene binding-allosteric sites eNOS CSE evaluate their vasodilator effect. Additionally, mechanism action most potent compound explored. A high-throughput virtual screening (HTVS)...
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that leads to disease (COVID-19) has put public health at risk in 2020. The spike protein (SP) SARS-CoV-2 is primarily responsible for the attachment and entry of virus into cell, which binds angiotensin-converting enzyme (ACE2). Owing lack an effective therapy, drug repositioning opportunity search molecules with pharmacological potential treatment COVID-19. In this study, three candidates destabilize SP-ACE2 complex are reported....
The CXCR6‒CXCL16 axis is involved in several pathological processes, and its overexpression has been detected different types of cancer, such as prostate, breast, ovary, lung along with schwannomas, which it promotes invasion metastasis. Moreover, this atherosclerosis, type 1 diabetes, primary immune thrombocytopenia, vitiligo, other autoimmune diseases, responsible for the infiltration system cells. 3D structure CXCR6 CXCL16 not experimentally resolved; therefore, homology modeling...
Leishmaniasis is a disease caused by parasites of the Leishmania genus that affects 98 countries worldwide, 2 million new cases occur each year and more than 350 people are at risk. The use actual treatments limited due to toxicity concerns apparition resistance strains. Therefore, there an urgent necessity find drugs for treatment this disease. In context, enzymes from polyamine biosynthesis pathway, such as arginase, have been considered good target. present work, chemical library...
There are several drugs for the treatment of giardiasis; however, there is a tendency patients to abandon because drug-related adverse effects, resulting in relapses, acquired resistance, and higher rates failure. Recently, we reported some podophyllotoxin-type lignans from Bursera fagaroides var. showing antigiardial activity. In present work, demonstrated that 5'-desmethoxy-peltatin-A-methylether (5-DES), acetylpodophyllotoxin (APOD), podophyllotoxin (POD) affect distribution staining...
Vitiligo is a hypopigmentary skin pathology resulting from the death of melanocytes due to activity CD8+ cytotoxic lymphocytes and overexpression chemokines. These include CXCL9, CXCL10, CXCL11 its receptor CXCR3, both in peripheral cells immune system patients diagnosed with vitiligo. The three-dimensional structure CXCR3 CXCL9 has not been reported experimentally; thus, homology modeling molecular dynamics could be useful for study this chemotaxis-promoter axis. In work, model...
Preliminary bioassay-guided fractionation was performed to identify cytotoxic compounds from Hechtia glomerata, a plant that is used in Mexican ethnomedicine. Organic and aqueous extracts were prepared H. glomerata’s leaves evaluated against two cancer cell lines. The CHCl3/MeOH (1:1) active extract fractionated, the resulting fractions assayed prostate adenocarcinoma PC3 breast MCF7 Active fraction 4 further analyzed by high-performance liquid chromatography–quadrupole time-of-flight–mass...
The aim of this study was to screen sixteen meso-1 semi-synthetic derivatives bearing ether, esther, carbamate, phosphate or aminoether functional groups against five cancer cell lines: MCF-7 (breast), A549 (lung), HepG2 (liver), HeLa (cervix), and DU145 (prostate) at 25 μM using the MTT assay. Results from screening showed that two had lowest percentage viability μM, derivative meso-11 esther meso-20 (44.15±0.78 %) (41.60±0.92 %), respectively. Then, it determined IC