A5072947827- Computational Drug Discovery Methods
- Parasitic Infections and Diagnostics
- Peroxisome Proliferator-Activated Receptors
- Estrogen and related hormone effects
- Pharmacology and Obesity Treatment
- Eicosanoids and Hypertension Pharmacology
- Aldose Reductase and Taurine
- Reproductive tract infections research
- Bioactive Compounds and Antitumor Agents
- Chemical Synthesis and Analysis
- Crystal structures of chemical compounds
- Crystallization and Solubility Studies
- Insect and Pesticide Research
- Insect symbiosis and bacterial influences
- Polysaccharides and Plant Cell Walls
- Parasite Biology and Host Interactions
- Biochemical and Molecular Research
- Protein Kinase Regulation and GTPase Signaling
- Natural Antidiabetic Agents Studies
- Metabolomics and Mass Spectrometry Studies
- Free Radicals and Antioxidants
- Neonatal Health and Biochemistry
- Crystallography and molecular interactions
- Religion, Society, and Development
- X-ray Diffraction in Crystallography
Universidad Autónoma del Estado de Morelos
2013-2024
Benemérita Universidad Autónoma de Puebla
2021-2023
We have synthesized a small series of five 3-[4-arylmethoxy)phenyl]propanoic acids employing an easy and short synthetic pathway. The compounds were tested in vitro against set four protein targets identified as key elements diabetes: G protein-coupled receptor 40 (GPR40), aldose reductase (AKR1B1), peroxisome proliferator-activated gama (PPARγ) solute carrier family 2 (facilitated glucose transporter), member 4 (GLUT-4). Compound 1 displayed EC50 value 0.075 μM GPR40 was AKR1B1 inhibitor,...
We prepared a series of 10 carbamates derivatives based on two common antiprotozoal drugs: metronidazole (1–5) and secnidazole (6–10). The compounds were tested in vitro against set amitochondriate protozoa: Giardia duodenalis Trichomonas vaginalis. Compounds 1–10 showed strong activities, with potency values the low micromolar-to-nanomolar range, being more active than their parent drugs. Metronidazole carbamate (1) was most series, nanomolar activities G. (IC50 = 460 nM) T. vaginalis 60...
Substituted phenylacetic (1–3), phenylpropanoic (4–6), and benzylidenethiazolidine-2,4-dione (7–9) derivatives were designed according to a multitarget unified pharmacophore pattern that has shown robust antidiabetic activity. This bioactivity is due the simultaneous polypharmacological stimulation of receptors PPARα, PPARγ, GPR40 enzyme inhibition aldose reductase (AR) protein tyrosine phosphatase 1B (PTP-1B). The nine compounds share same four elements: an acid moiety, aromatic ring, bulky...
Abstract We have synthesized a series of novel coumarin‐steroid and triterpenoid hybrids evaluated their potential anticancer activity through molecular docking calculations in vitro antiproliferative assays. These hybrids, derived from estrone oleanolic acid, were linked via hydrocarbon spacers varying lengths. Molecular studies against human aromatase revealed strong interactions, particularly for compound 11d , which exhibited significant binding affinity (−12.6308 kcal/mol). In assays...
☆ Taking in part of the Master Pharmacy thesis S. Juárez-Cruz Abstract. In current work, we prepared a series ten 4-aryloxy-5-benzylidenebarbiturates and hydantoins as 1,3-thiazolidine-2,4-dione bioisosteres. An silico pharmacological consensus analysis (PHACA) was conducted to assess pharmacokinetic, pharmacodynamics, biopharmaceutical, toxicological properties compounds 1-10. The goal identify computationally safe hits using color-coded system resembling traffic light. identified...
Four isobutyric acids (two nitro and two acetamido derivatives) were prepared in steps characterized using spectral analysis. The mRNA concentrations of PPARγ GLUT-4 proteins documented as key diabetes targets) increased by 3T3-L1 adipocytes treated with compounds 1-4, but an absence vitro expression PPARα was observed. Docking molecular dynamics studies revealed the plausible interaction between synthesized PPARγ. In vivo established that 1-4 have antihyperglycemic modes action associated...
We synthesized a small series of five 3-[4-arylmethoxy)phenyl]propanoic acids using an easy and short step synthetic route. All compounds were tested in vitro against set four protein targets identified as key elements diabetes: GPR40, aldose reductase (AKR1B1), PPARγ GLUT-4. Compound 1 displayed EC50 value 0.075 μM GPR40 was AKR1B1 inhibitor, showing IC50 = 7.4 μM. Compounds 2 3 behave inhibitors, agonists showed increase to 4-times the mRNA expression...
Steroidal plant growth promoters (SPGP) have been continuously studied due to their high activity increasing biomass and resistance diverse stress factors. In our hands, a new SPGP family of 22-oxocholestanic compounds stands out at comparative level brassinosteroids (BSs). The potential against phytopathogens was through in silico molecular docking, these assays were performed with relevant ensymes phytopatogens Chitinase B 1,3-β-Glucanase. Nine inhibitors two 1,3-β-Glucanase proposed....
In the title compound, C12H15NO4, dihedral angle between acetamide group and ring is 29.6 (2)(su?)°. crystal mol-ecules are linked through N-H⋯O O-H⋯O hydrogen bonds, thereby forming corrugated sheets propagating in ac plane. These composed of R4(4)(28) graph-set motifs.
Hormone Receptor positive (HR+) breast cancer is the most common malignancy in women. New strategies treatments have targeted estrogen biosynthesis pathways including inhibition of aromatase and 17β-HSD1 enzymes. The present work, describes study a new family 9 hybrid compounds derived from estrone attached to coumarin fragment, linked through different lengths hydrocarbon chains. activity these was evaluated by molecular docking with two relevant enzymes (HR+). It has been proposed nine as...
Parasitic diseases, including giardiasis caused by Giardia lamblia (G. lamblia), present a considerable global health burden. The limited effectiveness and adverse effects of current treatment options underscore the necessity for novel therapeutic compounds. In this study, we employed rational design strategy to synthesize retroalbendazole (RetroABZ), aiming address limitations associated with albendazole, commonly used drug treatment. RetroABZ exhibited enhanced in vitro activity against G....