Magdi E. A. Zaki

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2026 J jnl
Design, synthesis, and integrated in silico analysis of novel difluoroboron curcumin analogues as potent inhibitors of the K562 leukemia cell line.
J. Comput. Aided Mol. Des.
Tahseen A. Alsalim, Hamsa H. Al-Hujaj, Rehab G. Abood, Ahmed A. Majed, Aamal A. Al-Mutairi, Magdi E. A. Zaki, Sami A. Al-Hussain, Sobhi M. Gomha, Ahmed Elhenawy
2026 J jnl
Non-invasive breast cancer detection: Leveraging the potential of BN-doped C60 heterofullerene for formaldehyde sensing using DFT theory.
Comput. Biol. Chem.
Bharath Kumar Chagaleti, Arafat Toghan, Magdi E. A. Zaki, Ali Oubella, Reda A. Haggam
2025 J jnl
Computational screening of natural products as tryptophan 2,3-dioxygenase inhibitors: Insights from CNN-based QSAR, molecular docking, ADMET, and molecular dynamics simulations.
Comput. Biol. Medicine
Yassir Boulaamane, Santiago Bolivar Avila, Juan Rosales Hurtado, Iman Touati, Badr-Edine Sadoq, Aamal A. Al-Mutairi, Ali Irfan, Sami A. Al-Hussain, Amal A. M. Maurady, Magdi E. A. Zaki
2025 J jnl
Computationally guided design and synthesis of pyrimidine-oxazole hybrids as novel antidiabetic agents: kinetic and molecular interaction studies.
Comput. Biol. Chem.
Shoaib Khan, Tayyiaba Iqbal, Rafaqt Hussain, Faez Falah Alshehri, Zafer Saad Al Shehri, Sobhi M. Gomha, Magdi E. A. Zaki, Hamdy Kashtoh
2025 J jnl
Fungal metabolite Ochratoxin A inhibits MrkD1P of multidrug-resistant Klebsiella pneumoniae: Integrated computational and in vitro validation.
J. Comput. Aided Mol. Des.
Md Roqunuzzaman, Ariful Islam, Sumaiya Jahan Supti, Mahbub Hasan Rifat, Mohammad Saiful Islam, Ummay Habiba Ananna, Khalid Saifullah Tusher, Aamal A. Al-Mutairi, Magdi E. A. Zaki, Subir Sarker, Md. Eram Hosen
2025 J jnl
Identification of Therapeutic Compounds Targeting Phosphatidylinositol 3-Kinase (PI3K) Through Molecular Docking, Dynamics Simulation, and DFT Calculations.
Comput. Biol. Chem.
Jehad Zuhair Tayyeb, Imren Bayil, Taha Alqahtani, Gabriel Vinícius Rolim Silva, Guilherme Bastos Alves, Al-Anood M. Al-Dies, Abdelkrim Guendouzi, Jonas Ivan Nobre Oliveira, Magdi E. A. Zaki
2025 J jnl
Shifting the paradigm of diabetes mellitus therapeutics: synthesis of novel fused pyrrolo-Imidazolidinone derivatives and their kinetic and computational profiling.
J. Comput. Aided Mol. Des.
Shoaib Khan, Tayyiaba Iqbal, Eman Alzahrani, Faez Falah Alshehri, Zafer Saad Al Shehri, Sobhi M. Gomha, Magdi E. A. Zaki, Hamdy Kashtoh
2025 J jnl
Targeting PARP14: An in silico framework for identifying novel Competitive inhibitors via 3D-QSAR pharmacophore modeling and molecular dynamics.
Comput. Biol. Medicine
Manisha Agarwal, Sanchaita Rajkhowa, Magdi E. A. Zaki, Subrata Sinha
2025 J jnl
e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray.
Comput. Biol. Chem.
Vijay H. Masand, Sami A. Al-Hussain, Gaurav S. Masand, Abdul Samad, Rakhi Gawali, Shravan Jadhav, Magdi E. A. Zaki
2024 J jnl
Discovery of novel MLK4 inhibitors against colorectal cancer through computational approaches.
Comput. Biol. Medicine
Shopnil Akash, S. K. Hasibul Islam Shanto, Md. Rezaul Islam, Imren Bayil, Samson Olusegun Afolabi, Abdelkrim Guendouzi, Magda H. Abdellattif, Magdi E. A. Zaki
2024 J jnl
Unveiling potential repurposed drug candidates for Plasmodium falciparum through in silico evaluation: A synergy of structure-based approaches, structure prediction, and molecular dynamics simulations.
Comput. Biol. Chem.
Abhichandan Das, Sanchaita Rajkhowa, Subrata Sinha, Magdi E. A. Zaki