Discovery of novel MLK4 inhibitors against colorectal cancer through computational approaches

Colorectal cancer (CRC) is a significant health issue globally, affecting approximately 10 % of the world's population. The prevalence of CRC highlights the need for effective treatments and prevention strategies. The current therapeutic option, such as chemotherapy, has significant side effect...

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Veröffentlicht in:	Computers in biology and medicine 2024-11, Vol.182, p.109136, Article 109136
Hauptverfasser:	Akash, Shopnil, Shanto, S.K. Hasibul Islam, Islam, Md. Rezaul, Bayil, Imren, Afolabi, Samson Olusegun, Guendouzi, Abdelkrim, Abdellattif, Magda H., Zaki, Magdi E.A.
Format:	Artikel
Sprache:	eng
Schlagworte:	5-Fluorouracil Affinity Anticancer properties Antineoplastic Agents - chemistry Antineoplastic Agents - pharmacology Benzophenanthridines - chemistry Benzophenanthridines - pharmacology Bioavailability Cancer therapies Chemical properties Chemotherapy Colorectal cancer Colorectal carcinoma Colorectal Neoplasms - drug therapy Colorectal Neoplasms - metabolism Drug development Drug Discovery Effectiveness Humans Immunotherapy In vivo methods and tests Inflammatory bowel disease Isoquinolines - chemistry Isoquinolines - pharmacology Isoquinolines - therapeutic use Kinases Ligands MAP kinase Medical prognosis Mixed lineage kinases Molecular docking Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation Optimization Patients Pharmacokinetics Protein kinase C Protein Kinase Inhibitors - chemistry Protein Kinase Inhibitors - pharmacology Proteins Sanguinarine Sanguinarine derivatives Side effects Simulation
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