Identification of potential TNF-α inhibitors: from in silico to in vitro studies von Zia, Komal, Ashraf, Sajda, Jabeen, Almas, Saeed, Maria, Nur-e-Alam, Mohammad, Ahmed, Sarfaraz, Al-Rehaily, Adnan J., Ul-Haq, Zaheer

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Protonation states at different pH, conformational changes and impact of glycosylation in synapsin Ia von Mir, Sonia, Ashraf, Sajda, Saeed, Maria, Rahman, Atta-ur, Ul-Haq, Zaheer

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Exploration of the structural requirements of Aurora Kinase B inhibitors by a combined QSAR, modelling and molecular simulation approach von Ashraf, Sajda, Ranaghan, Kara E., Woods, Christopher J., Mulholland, Adrian J., Ul-Haq, Zaheer

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Identification of Selective BRD9 Inhibitor via Integrated Computational Approach von Ali, Maria Mushtaq, Ashraf, Sajda, Nure-e-Alam, Mohammad, Qureshi, Urooj, Khan, Khalid Mohammed, Ul-Haq, Zaheer

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Discovery of drug targets and therapeutic agents based on drug repositioning to treat lung adenocarcinoma von Graves, Occam Kelly, Kim, Woonghee, Özcan, Mehmet, Ashraf, Sajda, Turkez, Hasan, Yuan, Meng, Zhang, Cheng, Mardinoglu, Adil, Li, Xiangyu

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Synthesis of a New Class of Spirooxindole-Benzo[b]Thiophene-Based Molecules as Acetylcholinesterase Inhibitors von Barakat, Assem, Alshahrani, Saeed, Al-Majid, Abdullah Mohammed, Ali, M., Altowyan, Mezna Saleh, Islam, Mohammad Shahidul, Alamary, Abdullah Saleh, Ashraf, Sajda, Ul-Haq, Zaheer

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Phenylpyrazalopyrimidines as Tyrosine Kinase Inhibitors: Synthesis, Antiproliferative Activity, and Molecular Simulations von Chhikara, Bhupender S., Ashraf, Sajda, Mozaffari, Saghar, St Jeans, Nicole, Mandal, Dindyal, Tiwari, Rakesh Kumar, Ul-Haq, Zaheer, Parang, Keykavous

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A Gene Co-Expression Network-Based Drug Repositioning Approach Identifies Candidates for Treatment of Hepatocellular Carcinoma von Yuan, Meng, Shong, Koeun, Li, Xiangyu, Ashraf, Sajda, Shi, Mengnan, Kim, Woonghee, Nielsen, Jens, Turkez, Hasan, Shoaie, Saeed, Uhlen, Mathias, Zhang, Cheng, Mardinoglu, Adil

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Discovery of Cell-Permeable Allosteric Inhibitors of Liver Pyruvate Kinase: Design and Synthesis of Sulfone-Based Urolithins von Iqbal, Shazia, Islam, Md Zahidul, Ashraf, Sajda, Kim, Woonghee, Al-Sharabi, Amal A, Ozcan, Mehmet, Hanashalshahaby, Essam, Zhang, Cheng, Uhlén, Mathias, Boren, Jan, Turkez, Hasan, Mardinoglu, Adil

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New spiro-indeno[1,2- b ]quinoxalines clubbed with benzimidazole scaffold as CDK2 inhibitors for halting non-small cell lung cancer; stereoselective synthesis, molecular dynamics a... von Barakat, Assem, Alshahrani, Saeed, Al-Majid, Abdullah Mohammed, Alamary, Abdullah Saleh, Haukka, Matti, Abu-Serie, Marwa M, Domingo, Luis R, Ashraf, Sajda, Ul-Haq, Zaheer, Nafie, Mohamed S, Teleb, Mohamed

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Designing Functionally Substituted Pyridine-Carbohydrazides for Potent Antibacterial and Devouring Antifungal Effect on Multidrug Resistant (MDR) Strains von Khan, Farooq-Ahmad, Yaqoob, Sana, Ali, Shujaat, Tanveer, Nimra, Wang, Yan, Ashraf, Sajda, Hasan, Khwaja Ali, Khalifa, Shaden A M, Shou, Qiyang, Ul-Haq, Zaheer, Jiang, Zi-Hua, El-Seedi, Hesham R

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3D-QSAR Studies on Barbituric Acid Derivatives as Urease Inhibitors and the Effect of Charges on the Quality of a Model von Ul-Haq, Zaheer, Ashraf, Sajda, Al-Majid, Abdullah Mohammed, Barakat, Assem

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Unraveling the versatility of human serum albumin - A comprehensive review of its biological significance and therapeutic potential von Ashraf, Sajda, Qaiser, Hina, Tariq, Sumayya, Khalid, Asaad, Makeen, Hafiz A, Alhazmi, Hassan A, Ul-Haq, Zaheer

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Exploring pyrrolidinyl-spirooxindole natural products as promising platforms for the synthesis of novel spirooxindoles as EGFR/CDK2 inhibitors for halting breast cancer cells von Nafie, Mohamed S, Al-Majid, Abdullah Mohammed, Ali, M, Alayyaf, Abdulmajeed Abdullah, Haukka, Matti, Ashraf, Sajda, Ul-Haq, Zaheer, El-Faham, Ayman, Barakat, Assem

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Quantum mechanics and 3D-QSAR studies on thienopyridine analogues: inhibitors of IKKβ von Ul-Haq, Zaheer, Khan, Alamgir, Ashraf, Sajda, Morales-Bayuelo, Alejandro

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Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against... von Shawish, Ihab, Al Ayoubi, Samha, El-Faham, Ayman, Aldalbahi, Ali, El-Senduny, Fardous F, Badria, Farid A, Ríos-Gutiérrez, Mar, Hammud, Hassan H, Ashraf, Sajda, Ul-Haq, Zaheer, Barakat, Assem

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Exploring Novel N‑Myristoyltransferase Inhibitors: A Molecular Dynamics Simulation Approach von Khalil, Ruqaiya, Ashraf, Sajda, Khalid, Asaad, Ul-Haq, Zaheer

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Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therap... von Abad, Nadeem, Al-Ostoot, Fares Hezam, Ashraf, Sajda, Chkirate, Karim, Aljohani, Majed S., Alharbi, Hussam Y., Buhlak, Shafeek, El Hafi, Mohamed, Van Meervelt, Luc, Al-Maswari, Basheer M., Essassi, El Mokhtar, Ramli, Youssef

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Benzilydene and thiourea derivatives as new classes of carbonic anhydrase inhibitors: an in vitro and molecular docking study von Qaiser, Shama, Mubarak, Mohammad S., Ashraf, Sajda, Saleem, Muhammad, Ul-Haq, Zaheer, Safdar, Muhammad, Rauf, Abdur, Abu-Izneid, Tareq, Qadri, Malak I., Maalik, Aneela

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Tambulin from Zanthoxylum armatum acutely potentiates the glucose-induced insulin secretion via KATP-independent Ca2+-dependent amplifying pathway von Hameed, Abdul, Raza, Sayed Ali, Israr Khan, M., Baral, Janaki, Adhikari, Achyut, Nur-e-Alam, Mohammad, Ahmed, Sarfaraz, Al-Rehaily, Adnan J., Ashraf, Sajda, Ul-Haq, Zaheer, Hafizur, Rahman M.

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