Inhibition of Shikimate Kinase from Methicillin-Resistant by Benzimidazole Derivatives. Kinetic, Computational, Toxicological, and Biological Activity Studies.

Antimicrobial resistance (AMR) is one of the biggest threats in modern times. It was estimated that in 2019, 1.27 million deaths occurred around the globe due to AMR.

Characterization of Seed Oil for the Development of a Biopackage Applied to Maintain the Quality of Turkey Ham.

has a high level of active chemicals that are useful in the food industry, and they have antibacterial and food preservation properties. The characterization of seed oil (MOS) may vary due to agronomic and environmental factors. Therefore, it was necessary to know the composition of lipids present in our oil extracted under pressing at 180 °C and thus determine if it is suitable to produce a biopackaging.

Discovery of Potential Noncovalent Inhibitors of Dehydroquinate Dehydratase from Methicillin-Resistant through Computational-Driven Drug Design.

Bacteria resistance to antibiotics is a concerning global health problem; in this context, methicillin-resistant (MRSA) is considered as a high priority by the World Health Organization. Furthermore, patients with a positive result for COVID-19 received early antibiotic treatment, a fact that potentially encourages the increase in antibiotic resistance. Therefore, there is an urgency to develop new drugs with molecular mechanisms different from those of the actual treatments.

In Silico Characterization of the Physicochemical and Biological Properties of the Pink ( var. ) Oyster Mushroom Chromoprotein.

Cap color is an important commercial trait for oyster mushrooms. Various pigment constituents determine a diverse color. However, the pigments of oyster mushrooms are still ambiguous.

Inhibited Angiotensin-Converting Enzyme through Molecular Interaction between Cordycepin and ACE C-Domain.

One of the most important therapeutic modalities for the management of hypertension is the inhibition of the angiotensin-converting enzyme (ACE). has received substantial attention because to its therapeutic potential and biological value. To gather information about the antihypertensive properties of , the ACE inhibitory activity was evaluated.

Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century.

Protein tyrosine phosphatase 1B (PTP1B) dephosphorylates phosphotyrosine residues and is an important regulator of several signaling pathways, such as insulin, leptin, and the ErbB signaling network, among others. Therefore, this enzyme is considered an attractive target to design new drugs against type 2 diabetes, obesity, and cancer. To date, a wide variety of PTP1B inhibitors that have been developed by experimental and computational approaches.

Benzimidazole Derivatives as New and Selective Inhibitors of Arginase from with Biological Activity against Promastigotes and Amastigotes.

Leishmaniasis is a disease caused by parasites of the genus that affects 98 countries worldwide, 2 million of new cases occur each year and more than 350 million people are at risk. The use of the actual treatments is limited due to toxicity concerns and the apparition of resistance strains. Therefore, there is an urgent necessity to find new drugs for the treatment of this disease.

Oxidative Stress as a Molecular Mechanism of Exposure to Organophosphorus Pesticides: A Review.

Exposure to organophosphorus pesticides is an important public health issue due to a large number of occupationally exposed populations, as well as their effects mainly at the level of the nervous, reproductive, and immune systems. It has been reported that one of the molecular mechanisms by which adverse effects of exposure to organophosphorus pesticides can be explained is oxidative stress, which leads to alterations at the cellular level that, if chronic, could affect the functionality of different organs and tissues. These data constitute the basis of the relevant literature on its toxicity.

Finding the First Potential Inhibitors of Shikimate Kinase from Methicillin Resistant through Computer-Assisted Drug Design.

Methicillin-resistant (MRSA) is an important threat as it causes serious hospital and community acquired infections with deathly outcomes oftentimes, therefore, development of new treatments against this bacterium is a priority. Shikimate kinase, an enzyme in the shikimate pathway, is considered a good target for developing antimicrobial drugs; this is given because of its pathway, which is essential in bacteria whereas it is absent in mammals. In this work, a computer-assisted drug design strategy was used to report the first potentials inhibitors for Shikimate kinase from methicillin-resistant (SaSK), employing approximately 5 million compounds from ZINC15 database.

Design, synthesis, kinetic, molecular dynamics, and hypoglycemic effect characterization of new and potential selective benzimidazole derivatives as Protein Tyrosine Phosphatase 1B inhibitors.

Protein-tyrosine phosphatase 1B (PTP1B) is a negative regulator of insulin signaling pathway and has been validated as a therapeutic target for type 2 diabetes. A wide variety of scaffolds have been included in the structure of PTP1B inhibitors, one of them is the benzimidazole nucleus. Here, we report the design and synthesis of a new series of di- and tri- substituted benzimidazole derivatives including their kinetic and structural characterization as PTP1B inhibitors and hypoglycemic activity.

Effects of Leaf Extract on Diabetes-Induced Alterations in Paraoxonase 1 and Catalase in Rats Analyzed through Progress Kinetic and Blind Docking.

In our study, we aimed to evaluate the effects of leaves extract on rat paraoxonase 1 (rPON1) and catalase (rCAT) activities in alloxan-induced diabetic rats. Our study included three groups; group C (control, n = 5); group D (diabetic, n = 5); and group DM ( extract-supplemented diabetic rats, n = 5). Daily oral administration of extract at 200 mg/kg doses produced an increase in endogenous antioxidants.

Trypanothione Reductase Inhibitors: Computational and Biological Studies.

Leishmanicidal drugs have many side effects, and drug resistance to all of them has been documented. Therefore, the development of new drugs and the identification of novel therapeutic targets are urgently needed. trypanothione reductase (LmTR), a NADPH-dependent flavoprotein oxidoreductase important to thiol metabolism, is essential for parasite viability.

Kinetic and molecular dynamic studies of inhibitors of shikimate dehydrogenase from methicillin-resistant Staphylococcus aureus.

Due to its resistance to many antibiotics, methicillin-resistant Staphylococcus aureus (MRSA) have become a worldwide health problem creating the urgent necessity of developing new drugs against this pathogen. In this sense, one approach is to search for inhibitors of important enzymes in its metabolism. According to this, the shikimate pathway is an important metabolic route in bacteria and its enzymes are considered as great targets for the development of new antibiotic drugs.

Biochemical, Kinetic, and Computational Structural Characterization of Shikimate Kinase from Methicillin-Resistant Staphylococcus aureus.

One of the most widespread pathogens worldwide is methicillin-resistant Staphylococcus aureus, a bacterium that provokes severe life-threatening illnesses both in hospitals and in the community. The principal challenge lies in the resistance of MRSA to current treatments, which encourages the study of different molecular targets that could be used to develop new drugs against this infectious agent. With this goal, a detailed characterization of shikimate kinase from this microorganism (SaSK) is described.

hit optimization toward AKT inhibition: fragment-based approach, molecular docking and molecular dynamics study.

Protein kinase B also known as AKT is a cardinal node in different signaling pathways that regulates diverse cell processes. AKT has three isoforms that share high homology. Hyperactivation of each isoform is related with different types of cancer.

Virtual Screening, Molecular Dynamics and ADME-Tox Tools for Finding Potential Inhibitors of Phosphoglycerate Mutase 1 from Plasmodium falciparum.

Background: Nowadays, malaria is still one of the most important and lethal diseases worldwide, causing 445,000 deaths in a year. Due to the actual treatment resistance, there is an emergency to find new drugs.

Objective: The aim of this work was to find potential inhibitors of phosphoglycerate mutase 1 from P.

Effects of Leaves Extract on High Glucose-Induced Metabolic Changes in HepG2 Cells.

Mitochondrial dysfunction is a hallmark of diabetes, but the metabolic alterations during early stages of the disease remain unknown. The ability of liver cells to rearrange their metabolism plays an important role in compensating the energy shortage and may provide cell survival. leaves have been studied for its health properties against diabetes, insulin resistance, and non-alcoholic liver disease.

Streptozotocin-Induced Adaptive Modification of Mitochondrial Supercomplexes in Liver of Wistar Rats and the Protective Effect of Lam.

The increasing prevalence of diabetes continues to be a major health issue worldwide. Alteration of mitochondrial electron transport chain is a recognized hallmark of the diabetic-associated decline in liver bioenergetics; however, the molecular events involved are only poorly understood. is used for the treatment of diabetes.

Novel Mixed-Type Inhibitors of Protein Tyrosine Phosphatase 1B. Kinetic and Computational Studies.

The Atlas of Diabetes reports 415 million diabetics in the world, a number that has surpassed in half the expected time the twenty year projection. Type 2 diabetes is the most frequent form of the disease; it is characterized by a defect in the secretion of insulin and a resistance in its target organs. In the search for new antidiabetic drugs, one of the principal strategies consists in promoting the action of insulin.

Species-Specific Inactivation of Triosephosphate Isomerase from Trypanosoma brucei: Kinetic and Molecular Dynamics Studies.

Human African Trypanosomiasis (HAT), a disease that provokes 2184 new cases a year in Sub-Saharan Africa, is caused by . Current treatments are limited, highly toxic, and parasite strains resistant to them are emerging. Therefore, there is an urgency to find new drugs against HAT.

Utility of Milk Coagulant Enzyme of Moringa oleifera Seed in Cheese Production from Soy and Skim Milks.

In this study, the potential use of as a clotting agent of different types of milk (whole, skim, and soy milk) was investigated. seed extract showed high milk-clotting activity followed by flower extract. Specific clotting activity of seed extract was 200 times higher than that of flower extract.

Synthesis and trypanocidal activity of novel benzimidazole derivatives.

The present work reports the synthesis and biological activity of a series of 14 benzimidazole derivatives designed to act on the enzyme triosephosphate isomerase of Trypanosoma cruzi (TcTIM). This enzyme is involved in the metabolism of glucose, the only source of energy for the parasite. In this study, we found four compounds that inhibit TcTIM moderately and lack inhibitory activity against human TIM (HsTIM).

Arsenic exposure and risk of preeclampsia in a Mexican mestizo population.

Background: Exposure to arsenic in drinking water has been associated with various complications of pregnancy including fetal loss, low birth weight, anemia, gestational diabetes and spontaneous abortion. However, to date, there are no studies evaluating its possible association with preeclampsia.

Methods: This case-control study involved 104 preeclamptic and 202 healthy pregnant women.

Targeting Plasmodium Metabolism to Improve Antimalarial Drug Design.

Malaria is one of the main infectious diseases in tropical developing countries and represents high morbidity and mortality rates nowadays. The principal etiological agent P. falciparum is transmitted through the bite of the female Anopheles mosquito.

Lower uric Acid linked with cognitive dysfunction in the elderly.

Uric acid has been associated as a risk factor for cardiovascular disease. Recently, however, there is growing evidence that uric acid plays a role as antioxidant in the brain. In cognitive dysfunction, vascular and oxidative stress mechanisms play a role, but the link remains unknown.