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Taináh M. R. Santos, Camila A. Tavares, Elaine F. F. da Cunha & Teodorico C. Ramalho. (2023) Vanadium complex as a potential modulator of the autophagic mechanism through proteins PI3K and ULK1: development, validation and biological implications of a specific force field for [VO(bpy)2Cl]. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Farhi S. Alhazmi, Moataz Morad, Khlood Abou-Melha & Nashwa M. El-Metwaly. (2023) Synthesis and Characterization of New Mixed-Ligand Complexes; Density Functional Theory, Hirshfeld, and In Silico Assays Strengthen the Bioactivity Performed In Vitro. ACS Omega 8:4, pages 4220-4233.
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Muthu Kumar Thirunavukkarasu, Shanthi Veerappapillai & Ramanathan Karuppasamy. (2022) Computational biophysics approach towards the discovery of multi-kinase blockers for the management of MAPK pathway dysregulation. Molecular Diversity.
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Renad Wael Saber, Khlood Abou-Melha & Nashwa El-Metwaly. (2022) Synthesis of new Cr(III) complexes derived from antipyrine-based ligands: Elucidation, conformation, cytotoxicity and genotoxicity via in-vitro and in-silico approaches. Journal of Molecular Liquids 359, pages 119361.
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Nada M. Alatawi, Hatun H. Alsharief, Arwa Alharbi, Mona Alhasani, Roba M. S. Attar, Mohamed E. Khalifa, Ahmed M. Abu-Dief & Nashwa M. El-Metwaly. (2022) Simulation for the behavior of new Fe(III) and Cr(III)-thiophenyl complexes towards DNA polymerase: synthesis, characterization, eukaryotic DNA and Hartree–Fock computation. Chemical Papers 76:6, pages 3919-3935.
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Salhah D. Al-Qahtani, Arwa Alharbi, Matokah M. Abualnaja, Aisha Hossan, Mona Alhasani, Ahmed M. Abu-Dief, Mohamed E. Khalifa & Nashwa M. El-Metwaly. (2022) Synthesis and elucidation of binuclear thiazole-based complexes from Co(II) and Cu(II) ions: Conductometry, cytotoxicity and computational implementations for various verifications. Journal of Molecular Liquids 349, pages 118100.
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Faizah S. Aljohani, Ahmed M. Abu-Dief, Rafat M. El-Khatib, Hessah A. Al-Abdulkarim, Arwa Alharbi, Asmaa Mahran, Mohamed E. Khalifa & Nashwa M. El-Metwaly. (2021) Structural inspection for novel Pd(II), VO(II), Zn(II) and Cr(III)- azomethine metal chelates: DNA interaction, biological screening and theoretical treatments. Journal of Molecular Structure 1246, pages 131139.
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Samira A. Almalki, Tahani M. Bawazeer, Basim Asghar, Arwa Alharbi, Meshari M. Aljohani, Mohamed E. Khalifa & Nashwa El-Metwaly. (2021) Synthesis and characterization of new thiazole-based Co(II) and Cu(II) complexes; therapeutic function of thiazole towards COVID-19 in comparing to current antivirals in treatment protocol. Journal of Molecular Structure 1244, pages 130961.
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Reem Alzahrani, Ismail Althagafi, Amerah Alsoliemy, Khlood S. Abou-Melha, Abdulmajeed F. Alrefaei, Gaber A.M. Mersal & Nashwa El-Metwaly. (2021) Synthesis and characterization for new Mn(II) complexes; conductometry, DFT, antioxidant activity via enhancing superoxide dismutase enzymes that confirmed by in-silico and in-vitro ways. Journal of Molecular Structure 1243, pages 130855.
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Hessah A. Al-Abdulkarim, Rafat M. El-khatib, Faizah S. Aljohani, Asmaa Mahran, Arwa Alharbi, Gaber A.M. Mersal, Nashwa M. El-Metwaly & Ahmed M. Abu-Dief. (2021) Optimization for synthesized quinoline-based Cr3+, VO2+, Zn2+ and Pd2+complexes: DNA interaction, biological assay and in-silico treatments for verification. Journal of Molecular Liquids 339, pages 116797.
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Kholood Alkhamis, Fatmah Alkhatib, Amerah Alsoliemy, Abdulmajeed F. Alrefaei, Hanadi A. Katouah, Hanan E. Osman, Gaber A.M. Mersal, Rania Zaky & Nashwa M. El-Metwaly. (2021) Elucidation for coordination features of hydrazide ligand under influence of variable anions in bivalent transition metal salts; green synthesis, biological activity confirmed by in-silico approaches. Journal of Molecular Structure 1238, pages 130410.
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Mohamed Shaker S. Adam, Saad Shaaban, Mohamed E. Khalifa, Mona Alhasani & Nashwa El-Metwaly. (2021) New Cu(II) and VO(II)-O,N,O-aroylhydrazone complexes: Biological evaluation, catalytic performance, ctDNA interaction, DFT, pharmacophore, and docking simulation. Journal of Molecular Liquids 335, pages 116554.
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Seraj Omar Alzahrani, Ahmed M. Abu-Dief, Kholood Alkhamis, Fatmah Alkhatib, Tarek El-Dabea, Mahmoud Abd El Aleem Ali Ali El-Remaily & Nashwa M. El-Metwaly. (2021) Synthesis and structural elucidation for new pyrano thiazole complexes: Biological screening and effects on DNA through in-vitro and in-silico approaches. Journal of Molecular Liquids 332, pages 115844.
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Muthu Kumar Thirunavukkarasu, Woong-Hee Shin & Ramanathan Karuppasamy. (2021) Exploring safe and potent bioactives for the treatment of non-small cell lung cancer. 3 Biotech 11:5.
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Moamen S. Refat, Ali Sayqal, Meshari M. Aljohani, Fawaz Saad, Amerah M. Al‐Solimy, Abrar A. Bayazeed, Hana M. Abumelha, Reem Shah & Nashwa El‐Metwaly. (2021) Synthesis of Al(III), Bi(III), Sb(III), Sn(II) and Pb(II) Complexes Based on a Plant Auxin Hormone: Characterization; DFT, Pharmacokinetics and MOE‐Docking with Plant‐Cell Proteins. ChemistrySelect 6:16, pages 3912-3921.
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Yoonjin Park, Kyunghwa Lee, Suhng Wook Kim, Min Woo Lee, Boyong Kim & Seung Gwan Lee. (2021) Effects of Induced Exosomes from Endometrial Cancer Cells on Tumor Activity in the Presence of Aurea helianthus Extract. Molecules 26:8, pages 2207.
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Hana M. Abumelha, Fatmah Alkhatib, Seraj Alzahrani, Matokah Abualnaja, Sohaib Alsaigh, Mohammad Y. Alfaifi, Ismail Althagafi & Nashwa El-Metwaly. (2021) Synthesis and characterization for pharmaceutical models from Co(II), Ni(II) and Cu(II)-thiophene complexes; apoptosis, various theoretical studies and pharmacophore modeling. Journal of Molecular Liquids 328, pages 115483.
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Ahmed M. Abu-Dief, Nashwa M. El-Metwaly, Seraj Omar Alzahrani, Fatmah Alkhatib, Matokah M. Abualnaja, Tarek El-Dabea & Mahmoud Abd El Aleem Ali Ali El-Remaily. (2021) Synthesis and characterization of Fe(III), Pd(II) and Cu(II)-thiazole complexes; DFT, pharmacophore modeling, in-vitro assay and DNA binding studies. Journal of Molecular Liquids 326, pages 115277.
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Poornimaa Murali, Kanika Verma, Thanyada Rungrotmongkol, Perarasu Thangavelu & Ramanathan Karuppasamy. (2021) Targeting the Autophagy Specific Lipid Kinase VPS34 for Cancer Treatment: An Integrative Repurposing Strategy. The Protein Journal 40:1, pages 41-53.
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