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Identification of HIV-1 Reverse Transcriptase-Associated Ribonuclease H Inhibitors Based on 2-Hydroxy-1,4-naphthoquinone Mannich Bases Tu, Nhat Quang; Richetta, Clemence; Putzu, Federica; Delelis, Olivier; Ahmed, Khursheed; Masand, Vijay H.; Schobert, Rainer; Tramontano, Enzo; Corona, Angela; Biersack, Bernhard 分享 收藏
GA-XGBoost, an explainable AI technique, for analysis of thrombin inhibitory activity of diverse pool of molecules and supported by X-ray Masand, Vijay H.; Al-Hussain, Sami; Alzahrani, Abdullah Y.; Al-Mutairi, Aamal A.; Alqahtani, Arwa sultan; Samad, Abdul; Masand, Gaurav S.; Zaki, Magdi E. A. 分享 收藏
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Multi-target in-silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors (vol 14, 15991, 2024) Shah, Sapan K.; Chaple, Dinesh R.; Masand, Vijay H.; Jawarkar, Rahul D.; Chaudhari, Somdatta; Abiramasundari, A.; Zaki, Magdi E. A.; Al-Hussain, Sami A. 分享 收藏
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Synthesis and Biological Evaluation of Some New 3-Aryl-2-thioxo-2,3-dihydroquinazolin-4(1H)-ones and 3-Aryl-2-(benzylthio)quinazolin-4(3H)-ones as Antioxidants; COX-2, LDHA, α-Glucosidase and α-Amylase Inhibitors; and Anti-Colon Carcinoma and Apoptosis-Inducing Agents El-Sayed, Nahed Nasser Eid; Al-Otaibi, Taghreed M.; Barakat, Assem; Almarhoon, Zainab M.; Hassan, Mohd. Zaheen; Al-Zaben, Maha I.; Krayem, Najeh; Masand, Vijay H.; Ben Bacha, Abir 分享 收藏
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Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer's disease Mukerjee, Nobendu; Das, Anubhab; Jawarkar, Rahul D.; Maitra, Swastika; Das, Padmashree; Castrosanto, Melvin A.; Paul, Soumyadip; Samad, Abdul; Zaki, Magdi E. A.; Al-Hussain, Sami A.; Masand, Vijay H.; Hasan, Mohammad Mehedi; Bukhari, Syed Nasir Abbas; Perveen, Asma; Alghamdi, Badrah S.; Alexiou, Athanasios; Kamal, Mohammad Amjad; Dey, Abhijit; Malik, Sumira; Bakal, Ravindra L.; Abuzenadah, Adel Mohammad; Ghosh, Arabinda; Md Ashraf, Ghulam 分享 收藏
Mesoporous Silica Modified with 2-Phenylimidazo[1,2-a] pyridine-3-carbaldehyde as an Effective Adsorbent for Cu(II) from Aqueous Solutions: A Combined Experimental and Theoretical Study Saddik, Rafik; Hammoudan, Imad; Tighadouini, Said; Roby, Othmane; Radi, Smaail; Al-Zaben, Maha, I; Ben Bacha, Abir; Masand, Vijay H.; Almarhoon, Zainab M. 分享 收藏
QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads QSAR,分子对接,MD模拟和MMGBSA计算方法来识别隐藏的药理学特征,这些特征对于优化ALK酪氨酸激酶抑制剂作为抗癌线索是必不可少的 Jawarkar, Rahul D.; Sharma, Praveen; Jain, Neetesh; Gandhi, Ajaykumar; Mukerjee, Nobendu; Al-Mutairi, Aamal A.; Zaki, Magdi E. A.; Al-Hussain, Sami A.; Samad, Abdul; Masand, Vijay H.; Ghosh, Arabinda; Bakal, Ravindra L. 分享 收藏
QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA Jawarkar, Rahul D.; Bakal, Ravindra L.; Mukherjee, Nobendu; Ghosh, Arabinda; Zaki, Magdi E. A.; AL-Hussain, Sami A.; Al-Mutairi, Aamal A.; Samad, Abdul; Gandhi, Ajaykumar; Masand, Vijay H. 分享 收藏
Synthesis and Evaluation of Some New 4H-Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic and ADME Investigations El-Sayed, Nahed N. E.; Zaki, Magdi E. A.; Al-Hussain, Sami A.; Ben Bacha, Abir; Berredjem, Malika; Masand, Vijay H.; Almarhoon, Zainab M.; Omar, Hanaa S. 分享 收藏