Synthesis,characterization and anti-tumor activity of novel thymoquinone analogs against pancreatic cancer |
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| Authors: | Mujahid Yusufi Sanjeev Banerjee Momin Mohammad Sandhya Khatal K. Venkateswara Swamy Ejazuddin M. Khan Amro Aboukameel Fazlul H. Sarkar Subhash Padhye |
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| Affiliation: | 1. ISTRA, Department of Chemistry, Abeda Inamdar College, University of Pune, Azam Campus, Pune 411001, India;2. Department of Pathology, Barbara Ann Karmanos Cancer Institute, Wayne State University School of Medicine, Detroit, MI 48201, USA;3. Department of Oncology, Barbara Ann Karmanos Cancer Institute, Wayne State University School of Medicine, Detroit, MI 48201, USA;4. Department of Bioinformatics and Computer Science, Dr. D. Y. Patil Biotechnology and Bioinformatics Institute, Dr. D. Y. Patil Vidyapeeth, Pune 411044, India |
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| Abstract: | Thymoquinone (TQ), isolated from the seeds of Nigella sativa, show moderate efficacy against pancreatic cancer. In the present work we report synthesis and characterization of novel TQ analogs appended with gallate and fluorogallate pharmacophores and evaluation of their effects against pancreatic cancer cell lines for cell viability and induction of apoptosis. The efficacy of the analogs alone or in combination with Gemcitabine was assessed in vitro. LC–MS spectra of ATQTHB and ATQTFB showed major peaks corresponding to expected M+1 fragment at 316.34 and 322.34 respectively. Molecular docking studies revealed good fit for these analogs in the COX-2 protein cavity with better binding energies compared to parent TQ compound. Present TQ analogs exhibit superior anti-proliferative activity, excellent chemo-sensitizing activity against pancreatic cancer in vitro and in combination with Gemcitabine. |
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| Keywords: | Thymoquinone analogs Molecular Docking Pancreatic cancer Thymoquinone Chemosensitisation Gemcitabine |
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