Search Results - "Atatreh, Noor"
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Structure-based assessment and druggability classification of protein–protein interaction sites
Published in Scientific reports (13-05-2022)“…The featureless interface formed by protein–protein interactions (PPIs) is notorious for being considered a difficult and poorly druggable target. However,…”
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The Discovery of Potent SHP2 Inhibitors with Anti-Proliferative Activity in Breast Cancer Cell Lines
Published in International journal of molecular sciences (18-04-2022)“…Despite available treatments, breast cancer is the leading cause of cancer-related death. Knowing that the tyrosine phosphatase SHP2 is a regulator in…”
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The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological Evaluation
Published in Molecules (Basel, Switzerland) (01-10-2022)“…The main protease enzyme (Mpro) of SARS-CoV-2 is one of the most promising targets for COVID-19 treatment. Accordingly, in this work, a structure-based virtual…”
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Discovery of new butyrylcholinesterase inhibitors via structure-based virtual screening
Published in Journal of enzyme inhibition and medicinal chemistry (01-01-2019)“…Butyrylcholinesterase (BChE) plays an important role in the progression of the Alzheimer's disease. In this study, we used a structure-based virtual screening…”
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Molecular Modelling Study and Antibacterial Evaluation of Diphenylmethane Derivatives as Potential FabI Inhibitors
Published in Molecules (Basel, Switzerland) (28-03-2023)“…The need for new antibiotics has become a major worldwide challenge as bacterial strains keep developing resistance to the existing drugs at an alarming rate…”
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Computer-aided approaches reveal trihydroxychroman and pyrazolone derivatives as potential inhibitors of SARS-CoV-2 virus main protease
Published in Acta pharmaceutica (Zagreb, Croatia) (01-09-2021)“…COVID-19 was declared a pandemic by the World Health Organization (WHO) in March 2020. The disease is caused by severe acute respiratory syndrome coronavirus 2…”
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Controlled Release of Pyrimidine Compound Using Polymeric Coated ZIF-8 Metal-Organic Framework as Glucagon-Like Peptide-1 Receptor Agonist Carrier
Published in Molecules (Basel, Switzerland) (20-09-2020)“…This work demonstrates synthetic strategies for the incorporation of a synthesized pyrimidine glucagon-like peptide-1 (GLP-1) agonist into alginate-coated…”
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Anti-inflammatory drug approach: Synthesis and biological evaluation of novel pyrazolo[3,4-d]pyrimidine compounds
Published in Bioorganic chemistry (01-05-2019)“…The present work describes the design and synthesis of novel series of ten pyrazolo[3,4-d]pyrazolo derivatives. Four compounds 3a, 3d, 4d and 4f were notable…”
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The Effects of Medications and the Roles of Pharmacists on the Recovery of Patients with COVID-19 Infection: An Epidemiological Study from the United Arab Emirates
Published in Healthcare (Basel) (06-02-2023)“…Patients infected with coronavirus have new experiences and hence new needs from the healthcare sector. Acknowledging patients' experiences can exhibit…”
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Activation of the GLP-1 receptor by chloropyrimidine derivatives
Published in Results in Chemistry (01-01-2021)“…•Two substituted pyrimidine series 2a-k and 4a-k we examined as antidiabetic agents.•The in-vitro and in-vivo results showed that compound 2c and 2f are the…”
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Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter
Published in Journal of chemical information and modeling (08-07-2024)“…The ability to conduct effective high throughput screening (HTS) campaigns in drug discovery is often hampered by the detection of false positives in these…”
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How Do Small Molecule Aggregates Inhibit Enzyme Activity? A Molecular Dynamics Study
Published in Journal of chemical information and modeling (24-08-2020)“…Small molecule compounds which form colloidal aggregates in solution are problematic in early drug discovery; adsorption of the target protein by these…”
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Allosteric Binding Sites of the SARS-CoV-2 Main Protease: Potential Targets for Broad-Spectrum Anti-Coronavirus Agents
Published in Drug design, development and therapy (31-08-2022)“…The current pandemic caused by the COVID-19 disease has reached everywhere in the world and has affected every aspect of our lives. As of the current data, the…”
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Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In vitro, spectroscopic, and docking studies
Published in European journal of medicinal chemistry (18-08-2017)“…A new series of pyrimidine derivatives 5, 9a-d and 12a-d was synthesized by an efficient procedure. The antibacterial activity of the new compounds was studied…”
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Discovery of pyrimidoindol and benzylpyrrolyl inhibitors targeting SARS-CoV-2 main protease (M pro ) through pharmacophore modelling, covalent docking, and biological evaluation
Published in Journal of molecular graphics & modelling (01-03-2024)“…The main protease (M ) enzyme has an imperative function in disease progression and the life cycle of the SARS-CoV-2 virus. Although the orally active drug…”
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The Discovery of Novel Small Oxindole‐Based Inhibitors Targeting the SARS‐CoV‐2 Main Protease (Mpro)
Published in Chemistry & biodiversity (01-11-2023)“…With the potential for coronaviruses to re‐emerge and trigger future pandemics, the urgent development of antiviral inhibitors against SARS‐CoV‐2 is essential…”
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Abstract B45: Molecular modeling approach for exploring the MDM2 active site for the discovery of new P53-MDM2 inhibitors
Published in Molecular cancer therapeutics (01-12-2015)“…Abstract MDM2 is a protein that regulates the action of tumor suppressor protein P53. Inhibiting the interaction between the two proteins is widely considered…”
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Abstract B44: Druggability assessment of protein tyrosine phosphatase binding site
Published in Molecular cancer therapeutics (01-12-2015)“…Abstract Protein tyrosine phosphatases play important roles in the signalling system in our bodies and were observed to be overexpressed in many diseases. For…”
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Assessing adherence to medications: Is there a difference between a subjective method and an objective method, or between using them concurrently?
Published in Pharmacy practice : official journal of the GRIPP (Global Research Institute of Pharmacy Practice) (01-10-2022)“…Background: Patients’ adherence to medication can be assessed by several subjective or objective methods. The Global Initiative for Asthma (GINA) has…”
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Structure‐based drug design and in vitro testing reveal new inhibitors of enoyl‐acyl carrier protein reductases
Published in Chemical biology & drug design (01-08-2019)“…The need for new antibacterial agents is increasingly becoming of great importance as bacterial resistance to current drugs is quickly spreading. Enoyl‐acyl…”
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