مسار بولونيا
AR
Research Hayder muhi Abdulhamza
SYNTHESIS, CHARACTERIZATION AND ANTIBACTERIAL EVALUATION OF SOME FENOPROFEN DERIVATIVES.
2020 Biochemical & Cellular Archives
Non-steroidal anti-inflammatory drugs (NSAIDs) have become important as an analgesic, antipyretic and antiinflammatory medications throughout the world. The main mechanism of NSAIDs action is inhibition both isoforms of the enzyme cyclooxygenase COX-1 andCOX-2, which catalyzes the synthesis of PGH2 from arachidonic acid. Some NSAIDs possess antimicrobial activity besides their anti-inflammatory activity. In order to design new derivative of Fenoprofen with antibacterial activity, its carboxylic group has been converted into hydrazone moiety, which have antimicrobial activity. The compounds then evaluated for their anti-bacterial activity by means of well- diffusionmethod. All the synthesized target compounds were characterized by FT-IR spectroscopy, 1HNMR analysis. The synthesis of the target compounds (H1-H4) was accomplished by multistep reaction procedures. The compounds were tested for antibacterial activity against two gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis) and two gram-negatives bacteria (Escherichia coli and Klebsiella pneumoniae). The highest activity was established by compound B, which found to be highly active against both E. coli and Staph. aureus.
Memantine and its role in parkinsonism, seizure, depression, migraine headache, and Alzheimer’s disease
2023 Pharmacia
Alzheimer’s disease (AD) is a neurological disorder characterized by mental and behavioral changes that develop progressively with a decline in brain function. Dysfunctions in glutamatergic and cholinergic pathways, along with an increased concentration of beta-amyloid protein (Aβ), lead to synapses that are full of phosphorylated protein. These changes result in several pathological, biochemical, cellular, and molecular alterations that increase neural excitation directly or indirectly at the neural level, affecting the synapse, axons, signal transmission, and all parts of neurons. All these alterations, with continuous excitatory effects, eventually lead to neural loss and degradation due to stimulation of the immune response. However, memantine is a non-competitive antagonist of N-methyl-D-aspartic acid (NMDA) glutamatergic receptors of moderate affinity and voltage-dependent that blocks the effects of pathologically elevated glutamate tonic levels, which can lead to neuronal dysfunction. Memantine has shown improvement in cognition, global clinical status, activities of daily living, and behavioral disturbances in moderate and severe AD. In this review, we will discuss the effects of memantine use and side effects, as well as its application in treating other diseases or pathological conditions with the prospective use of memantine or an alternative. Memantine is generally well-tolerated, and the most common adverse reactions are vertigo, headache, and hallucinations, which are usually mild.
In silico identification of antiviral compounds for the treatment of chikungunya virus infection: qsar modelling and md simulation analysis
2024 Medicine in Novel Technology and Devices
Abstract Chikungunya virus (CHIKV), transmitted by arthropods, has gained global recognition for its impact on public health. It has expanded globally, including Africa, Asia, and the Indian subcontinent, and has a helicase protein in its genome that is crucial for its replication. Thus, the study targeted the helicase protein of CHIKV with 745 antiviral compounds using an ML-based QSAR model and molecular docking. Top binders (5279172, 78161839, 6474310, and 5330286) were selected for MD simulation based on the control (Silvestrol). All compounds had the highest binding scores, with 78161839 showing the most consistent RMSD and the least conformational variation, indicating high stability. It also showed the lowest binding free energy (ΔG ​= ​−31.31 ​kcal/mol), indicating energetically favourable binding. PCA and FEL also depicted the stable complex confirmation of the protein and 78161839 complex during the 100 ns simulation. Overall, this study aimed to identify helicase function antiviral binders that could be experimentally tested for treating CHIKV
Chemical profiling of nonpolar compounds of Onopardum acanthium using GCMASS
2022 Pharmacognosy Journal
The use of medicinal plants increase in escalating fashion due to the medical importance and the activity of secondary metabolite the plants contain. Also the high adverse effect profile of the synthetic molecule and the difficulty and cost of synthesis, all of that make the focus and research on the discovery of natural product and compounds of natural origin. 1, 2 One of these plants are the onopardum acanthium. This plant has tremendous effect on ecological system and other plant distribution. 3 Onopardum acanthium grow in harsh environment, compete with other plants in growth with production of bulky amounts of seeds, and can tolerate challenges in growth and even affecting other plants growth. 4 In addition, because of that onopardum acanthium can produce differ and even new compounds in the new averments that’s growing in. 5 There is specific phenomena called alleopathey when other organism like plant, bacteria or fungi can introduce compound, which in turn affect in the ecologic system and the growth of other organism. 6, 7 Onopardum acanthium distributed mainly in southern Europe and south Asia, but it’s considered as invasive plant which grow and distributed in other area other than its original home, and even considered as risk and threatening to other plant and ecological system. 8, 9 Onopardum acanthium considered biennial, but it can turn into annual or a short-lived perennial, reproducing almost entirely by cypselae (fruits) that it can produce up to 50,000. 10
Drug design and discovery with bioinformatics tools
2025 Revista Colombiana de Ciencias Químico Farmacéuticas
Bioinformatics is a combination of different fields including computer science, biology, infor- mation technology and statistics which is used to analyze and interpret the biological data. It is used to design and discover novel drugs through biological data analysis and potential target identification. With increasing drug resistance among bacterial species, there is a need to develop new drugs. Aims: However, the drug discovery procedure is laborious, expensive and time-consuming. The new drug identification consists of various steps including target identification, target protein structure analysis, potential drug candidate identification, detecting the safety and efficacy of drug, optimizing them and finally validating the drug. Bioinformatics has a vital role in all these steps. Bioinformatics has emerged as a powerful tool in the field of drug design and discovery, enabling the rapid identification of potential drug targets, optimization of lead compounds, and prediction of drug interactions. For instance, anal- ysis of protein sequences and genetic data enables target identification. Methods: Once the target pro- tein is recognized, its structure can be investigated using bioinformatics tools. Identification of potential ligand binding sites allows for screening of compound databases to find drug candidates. A review of the relevant literature highlights that the identification of potential ligand binding sites allows for screening of compound databases to find drug candidates. Simulations of target protein and biomole- cule interactions aid in predicting drug safety and efficacy. Results: Bioinformatics is utilized for drug optimization to improve safety and efficacy. Recently pharmacophore and molecular docking process are used for screening of thousands of candidate molecules to a few promising leads. In this paper, drug design and discovery has been done with the use of bioinformatics tool in the field of network pharma- cology. This paper reviews the application of bioinformatics tools within the field of network pharma- cology, focusing on methodologies for drug design and discovery. It aims to clarify existing approaches and propose future directions in the context of drug development, rather than suggesting that original drug design and discovery work has been conducted by the authors.