A5058284531- Computational Drug Discovery Methods
- Cholinesterase and Neurodegenerative Diseases
- Click Chemistry and Applications
- Antibiotic Resistance in Bacteria
- Synthesis and biological activity
- Antimicrobial Peptides and Activities
- Adenosine and Purinergic Signaling
- Drug Transport and Resistance Mechanisms
- Electrochemical sensors and biosensors
- Machine Learning in Bioinformatics
- Microbial Metabolic Engineering and Bioproduction
- Plant biochemistry and biosynthesis
- Parkinson's Disease Mechanisms and Treatments
- Biological and pharmacological studies of plants
- Photochromic and Fluorescence Chemistry
- Nanoparticles: synthesis and applications
- Multicomponent Synthesis of Heterocycles
- Advanced Nanomaterials in Catalysis
- Neuroinflammation and Neurodegeneration Mechanisms
- Phytochemicals and Antioxidant Activities
- Glycosylation and Glycoproteins Research
- Receptor Mechanisms and Signaling
- Monoclonal and Polyclonal Antibodies Research
- Microbial Metabolism and Applications
- Photosynthetic Processes and Mechanisms
Abdelmalek Essaâdi University
2022-2024
Global challenges presented by multidrug-resistant
Monoamine Oxidase B is considered a successful target for developing antiparkinsonian drugs. Due to the side effects of current MAO-B inhibitors, there's an urgent need novel potent and highly selective inhibitors. A recent study has shown that coumarins tend be more towards than MAO-A when connected hex-5-ynyloxy chain at position 6 in contrast their C7-isomers. The present describes mode interaction C6 C7-substituted coumarin isomers characterized by difference selectivity through...
Coumarins are a highly privileged scaffold in medicinal chemistry. It is present many natural products and reported to display various pharmacological properties. A large plethora of compounds based on the coumarin ring system have been synthesized were found possess biological activities such as anticonvulsant, antiviral, anti-inflammatory, antibacterial, antioxidant well neuroprotective Despite wide activity spectrum coumarins, its naturally occurring derivatives yet be investigated...
Parkinson's disease is considered the second most frequent neurodegenerative disease. It described by loss of dopaminergic neurons in mid-brain. For many decades, L-DOPA has been as gold standard for treating motor symptoms, however, due to decrease efficacy, long run, there an urgent need novel antiparkinsonian drugs. Caffeine derivatives have reported several times their neuroprotective properties and dual blockade monoamine oxidase (MAO) adenosine A
Abstract In the current report, 3D structures of enzyme Lathyrus aphaca Ribulose bisphosphate carboxylase (LArbcL) was modeled using homology modeling. The synthesized β‐amino carbonyl derivatives were made by means “Chem Draw ultra‐12.0”, ADMET prediction conducted to compute physicochemical properties. Pharmacokinetics studies and molecular docking study compounds performed against . Docking experiments verified a significant Score values between 6.2 7.3 kcal mol −1 highest‐ranking...
Monoamine oxidase B (MAO-B) plays a pivotal role in the deamination process of monoamines, encompassing crucial neurotransmitters like dopamine and norepinephrine. The heightened interest MAO-B inhibitors emerged after revelation that this enzyme could potentially catalyze formation neurotoxic compounds from endogenous exogenous sources. Computational screening methodologies serve as valuable tools quest for novel inhibitors, enhancing efficiency pursuit. In study, 43 acefylline derivatives...
Abstract The exact cause of Parkinson's disease is unknown, and there currently no cure for the disease. However, are several treatment options available to help manage its symptoms. prevalence PD has been increasing globally, including in Morocco. This study investigated potential Aloysia citriodora , also known as lemon verbena, treating Lemon verbena a plant commonly used Morocco central nervous system related diseases. It traditionally relaxant sedative, antioxidant antimicrobial...
Parkinson's disease is a neurodegenerative disorder characterized by the progressive loss of dopaminergic neurons in midbrain. Current treatments provide limited symptomatic relief without halting progression. A multi-targeting approach has shown potential benefits treating diseases. In this study, we employed
GPCRs are a family of transmembrane receptors that profoundly linked to various neurological disorders, among which is Parkinson's disease (PD). PD the second most ubiquitous disorder after Alzheimer's disease, characterized by depletion dopamine in central nervous system due impairment dopaminergic neurons, leading involuntary movements or dyskinesia. The current standard care for Levodopa, precursor, yet chronic use this agent can exacerbate motor symptoms. Recent studies have investigated...
Dendrobium nobile Lindl alkaloids, or DNLA for short, are the most active ingredients found in D.nobile, a top grade plant Shen Nong Ben Cao Jing, with an extensive history of medicinal use Chinese traditional medicine (TCM) as multifunctional therapeutic agent. Recent evidence has emerged linking neuroprotective and anti-aging effects to their involvement promoting autophagy toxic amyloid-β (Aβ) plaques modulation key enzymes involved hyperphosphorylation Tau proteins. Although amyloid...
Abstract The global challenges presented by multidrug-resistant Acinetobacter baumannii infections have stimulated the development of new treatment strategies. We reported that OmpW is a potential therapeutic target in baumannii. Here, library 11,648 natural compounds was subjected to primary screening using QSAR models generated from ChEMBL dataset with >7,000 their MIC values against A. followed structure-based virtual OmpW. In silico ADME evaluation conducted assess drug-likeness these...
Abstract The blood-brain barrier (BBB) serves as a selective and semi-permeable barrier, crucial for maintaining homeostasis within the central nervous system. When developing drugs that act on brain, understanding permeability of compounds across BBB is utmost importance. However, succinctly formulating this consideration poses challenge. Clinical experiments are most accurate method assessing permeability, but they time cost consuming. Hence, computational methods have been explored an...