Identification of novel 5-lipoxygenase-activating protein (FLAP) inhibitors by an integrated method of pharmacophore virtual screening, docking, QSAR and ADMET analyses

• Main Authors: Rullah, Kamal, Roney, Miah, Ibrahim, Zalikha, Shamsudin, Nur Farisya, Islami, Deri, Ahmed, Qamar Uddin, Wai, Lam Kok, Mohd Aluwi, Mohd Fadhlizil Fasihi
• Format: Article
• Language: English; English; English
• Published: World Scientific 2022
• Subjects: RS403 Materia Medica-Pharmaceutical Chemistry
• Online Access: http://irep.iium.edu.my/102290/1/102290_Identification%20of%20novel%205-lipoxygenase-activating%20protein.pdf; http://irep.iium.edu.my/102290/2/102290_Identification%20of%20novel%205-lipoxygenase-activating%20protein_WOS.pdf; http://irep.iium.edu.my/102290/3/102290_Identification%20of%20novel%205-lipoxygenase-activating%20protein_SCOPUS.pdf; http://irep.iium.edu.my/102290/; https://www.worldscientific.com/doi/10.1142/S2737416523500059

This study explored a series of reported 5-lipoxygenase-activating protein (FLAP) inhibitors to understand their structural requirements and identify potential new inhibitor scaffolds through automated unbiased procedures. Docking studies have revealed that inhibitor binding affinity can be influenc...