Submit Manuscript  

Article Details


Synthesis and Molecular Docking of New Thiophene Derivatives as Lactate Dehydrogenase-A Inhibitors

[ Vol. 19 , Issue. 10 ]

Author(s):

Abd El-Galil E. Amr*, Mohamed F. El-Shehry, Alhussein A. Ibrahim, Hanaa M. Hosni, Mohamed A. Al-Omar and Hazem A. Ghabbour   Pages 833 - 841 ( 9 )

Abstract:


Background & Objective: A series of novel derivatives possessing the thiophene moiety were synthesized using ethyl 5'-amino-2,3'-bithiophene-4'-carboxylate as the starting material.

Method: The new synthesized derivatives were screened as lactate dehydrogenase (LDH) inhibitors. LDH plays an important role in glucose metabolism in cancer cells and can affect tumor genesis and metastasis.

Results: 3-Substituted p-tolylthieno[2,3-d]pyrimidin-4(3H)-ones 4 were the most potent inhibitors in this study compared to Galloflavin reference drug.

Conclusion: Molecular docking studies on the Human Lactate Dehydrogenase active site were carried out on the synthesized compounds and the MolDock scores ranged between -127 to -171.

Keywords:

Thiophene derivatives, thieno[2, 3-d]pyrimidin-4(3H)-ones, molecular modeling, lactate dehydrogenase inhibitors, anticancer drug target, tumor genesis.

Affiliation:

Drug Exploration & Development Chair (DEDC), Pharmaceutical Chemistry Department, College of Pharmacy, King Saud University, Riyadh 11451, Pesticide Chemistry Department, National Research Center, Dokki 12622, Cairo, Applied Organic Chemistry Department, National Research Centre,12622, Dokki, Giza, Pesticide Chemistry Department, National Research Center, Dokki 12622, Cairo, Drug Exploration & Development Chair (DEDC), Pharmaceutical Chemistry Department, College of Pharmacy, King Saud University, Riyadh 11451, Drug Exploration & Development Chair (DEDC), Pharmaceutical Chemistry Department, College of Pharmacy, King Saud University, Riyadh 11451



Read Full-Text article