Exploring Novel Y140F/H Mutant Fungal CYP51 Inhibitors: A Molecular Docking and Dynamics Study on Thiophene Compounds by Abdulrahim A. Alzain, Alaa Edris, Rua M. Mukhtar, Hagar M. Mohamed, Malek Abdullah Marzoqi Aldowimar, Ali A. Alqarni, Gamal A. Mohamed, Sabrin R. M. Ibrahim

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Computational screening campaign reveal natural candidates as potential ASK1 inhibitors: Pharmacophore modeling, molecular docking, MMGBSA calculations, ADMET prediction, and molec... by Rayan Yousif, Hagar M. Mohamed, Mohammed A. Almogaddam, Khaled M. Elamin, Sabrin R.M. Ibrahim, Bayan E. Ainousah, Ahmed Mohammad Alraddadi, Ehda Ahmad Awad, Abdulrahim A. Alzain

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Allopurinol as cardioprotective agent in chronic coronary syndrome: In silico evaluation of its potential as Keap1/Nrf2 modulator by Kannan O. Ahmed, Mohammed A. Almogaddam, Hagar M. Mohamed, Bayan E. Ainousah, Gamal A. Mohamed, Sabrin R. M. Ibrahim, Nawal A. Alharbi, Toga K. Mohamed, Bashir A. Yousef, Khalid Al Balushi, Abdulrahim A. Alzain

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Molecular Docking, Molecular Dynamics Simulation, and Pharmacophore-Based Virtual Screening Unveil Natural Compounds with TIM-3 Inhibitory Activity by Abdulrahim A. Alzain, Mohammed A. Almogaddam, Rayan Yousif, Mohammed Hamed Alqarni, Ahmed I. Foudah, Wadah Osman, Khaled M. Elamin, Hagar M. Mohamed, Ehssan Moglad, Ahmed Ashour, Reham M. Samra, Gamal A. Mohamed, Sabrin R.M. Ibrahim

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Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation by Abdulrahim A. Alzain, Mohammed A. Almogaddam, Alaa A. Makki, Alaa Edris, Hagar M. Mohamed, Sitelbanat Y. Ehaimir, Shaimaa G. A. Mohamed, Sarah Ameen Taher Felemban, Wedad Hamad Hammad Alshammari, Gamal A. Mohamed, Sabrin R. M. Ibrahim

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