Exploration of Specific Fluoroquinolone Interaction with SARS-CoV-2 Main Protease (Mpro) to Battle COVID-19: DFT, Molecular Docking, ADME and Cardiotoxicity Studies by Muhammad Asim Khan, Sadaf Mutahir, Muhammad Atif Tariq, Abdulrahman A. Almehizia

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Schiff-Based Modified Bentonite Clay Composites for Wastewater Treatment: Experimental and DFT-Based Analysis by Sadaf Mutahir, Fakhira Yaqoob, Muhammad Asim Khan, Amnah Mohammed Alsuhaibani, Amr S. Abouzied, Moamen S. Refat, Bader Huwaimel

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Facile Synthesis of ZIF-67 for the Adsorption of Methyl Green from Wastewater: Integrating Molecular Models and Experimental Evidence to Comprehend the Removal Mechanism by Muniba Ikram, Sadaf Mutahir, Muhammad Humayun, Muhammad Asim Khan, Jehan Y. Al-Humaidi, Moamen S. Refat, Amr S. Abouzied

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Synthesis and Micromechanistic Studies of Sensitized Bentonite for Methyl Orange and Rhodamine-B Adsorption from Wastewater: Experimental and DFT-Based Analysis by Sadaf Mutahir, Tayyaba Irfan, Nimra Nadeem, Muhammad Humayun, Muhammad Asim Khan, Moamen S. Refat, Chundong Wang, Tahir Ali Sheikh

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MOF-derived ZnO/g-C3N4 nanophotocatalyst for efficient degradation of organic pollutant by Sadaf Mutahir, Muhammad Asim Khan, Yuan Qunhui, Sheeraz Mehboob, Mohamed Bououdina, Safaa Mostafa Elkholi, Abbas Khan, Rasha A. Abumousa, Muhammad Humayun

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Computational Study of Benzothiazole Derivatives for Conformational, Thermodynamic and Spectroscopic Features and Their Potential to Act as Antibacterials by Adeel Mubarik, Sajid Mahmood, Nasir Rasool, Muhammad Ali Hashmi, Muhammad Ammar, Sadaf Mutahir, Kulsoom Ghulam Ali, Muhammad Bilal, Muhammad Nadeem Akhtar, Ghulam Abbas Ashraf

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A Combined Experimental and Computational Study of Novel Benzotriazinone Carboxamides as Alpha-Glucosidase Inhibitors by Zunera Khalid, Syed Salman Shafqat, Hafiz Adnan Ahmad, Munawar Ali Munawar, Sadaf Mutahir, Safaa M. Elkholi, Syed Rizwan Shafqat, Rahila Huma, Abdullah Mohammed Asiri

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Structural Characterization and Molecular Docking Screening of Most Potent 1,2,4-Triazine Sulfonamide Derivatives as Anti-Cancer Agents by Sadaf Mutahir, Muhammad Asim Khan, Ahmed M. Naglah, Mohamed A. Al-Omar, Abdulrahman A. Almehizia, Bader Huwaimel, Amr S. Abouzied, Amirah Senaitan Alharbi, Moamen S. Refat

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Aqueous extract of Platycodon grandiflorus attenuates lipopolysaccharide-induced apoptosis and inflammatory cell infiltration in mouse lungs by inhibiting PI3K/Akt signaling by Yang Zhou, Tianzi Jin, Mingtong Gao, Zichen Luo, Sadaf Mutahir, Chen Shi, Tong Xie, Lili Lin, Jianya Xu, Yingzhao Liao, Ming Chen, Haishan Deng, Min Zheng, Jinjun Shan

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Investigations of Electronic, Structural, and In Silico Anticancer Potential of Persuasive Phytoestrogenic Isoflavene-Based Mannich Bases by Sadaf Mutahir, Muhammad Asim Khan, Maryam Mushtaq, Haishan Deng, Ahmed M. Naglah, Abdulrahman A. Almehizia, Mohamed A. Al-Omar, Faris Ibrahim Alrayes, Atef Kalmouch, Shaima A. El-Mowafi, Moamen S. Refat

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