Molecular docking studies of tyrosine kinase inhibitors: Exemplified protocol to advance pharmaceutical education in medicinal chemistry
نویسندگان
چکیده
Background: One of the essential goals pharmacy education is to extend professional learning pharmacists, students and educators. Medicinal chemistry a major component this learning. Nowadays, computer-aided drug design (CADD) considered cornerstone in discovery platforms. However, computational not crystal-clear pharmacists. In study, molecular docking process was established advance pharmaceutical medicinal field. Method: CADD available syllabus Iraqi schools however software packages are for practice process. Five different compounds were designed docked by employing Genetic Optimisation Ligand Docking (GOLD) scores recorded. Results: Pharmacy would use exemplified enhance their understanding module. Conclusion: This educational study successfully performed education.
منابع مشابه
Receptor Tyrosine Kinase Inhibitory Activities and Molecular Docking Studies of Some Pyrrolo[2,3-d]pyrimidine Derivatives
In this study, we aimed to determine VEGFR-2, EGFR and PDGFR-β tyrosine kinase inhibitory activities of some pyrrolo[2,3-d]pyrimidine derivatives previously synthesized and showed potent cytotoxic and apoptotic effects against several cancer cell lines by our group and to evaluate the relationships between inhibitory activities and binding properties of the active compounds by molecular docking...
متن کامل2D-QSAR and docking studies of 4-anilinoquinazoline derivatives as epidermal growth factor receptor tyrosine kinase inhibitors
Introduction: Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor derivatives play an important role in the treatment of cancer. We aim to construct 2D-QSAR models using various chemometrics using 4-anilinoquinazoline-containing EGFR TKIs. In addition, the binding profile of these compounds was evaluated using a docking study. Materials and Methods: In this study, 122 compounds of...
متن کاملSFHS: Reusable catalyst for the synthesis of polyhydroquinoline derivatives and its molecular docking studies against tyrosine protein kinase
An efficient synthesis of polyhydroquinoline derivatives is achieved via Hantzsch condensation reaction between aldehydes, dimedone, ethyl acetoacetate and ammonium acetate in the presence of catalytic amount of SFHS in ethanol. This method gives remarkable advantages such as shorter reaction time, simple workup procedure and good to excellent yields. Furthermore the catalyst can be recovered c...
متن کاملSFHS: Reusable catalyst for the synthesis of polyhydroquinoline derivatives and its molecular docking studies against tyrosine protein kinase
An efficient synthesis of polyhydroquinoline derivatives is achieved via Hantzsch condensation reaction between aldehydes, dimedone, ethyl acetoacetate and ammonium acetate in the presence of catalytic amount of SFHS in ethanol. This method gives remarkable advantages such as shorter reaction time, simple workup procedure and good to excellent yields. Furthermore the catalyst can be recovered c...
متن کاملScaffold Diversity of Exemplified Medicinal Chemistry Space
The scaffold diversity of 7 representative commercial and proprietary compound libraries is explored for the first time using both Murcko frameworks and Scaffold Trees. We show that Level 1 of the Scaffold Tree is useful for the characterization of scaffold diversity in compound libraries and offers advantages over the use of Murcko frameworks. This analysis also demonstrates that the majority ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Pharmacy Education
سال: 2022
ISSN: ['1477-2701', '1560-2214']
DOI: https://doi.org/10.46542/pe.2022.224.110114