Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners

Molecules

Yahia N. Mabkhot¹  Salim S. Al-Showiman¹  Assem Barakat¹  Mohammad S. Mubarak²  Zaheer Ul-Haq³  Sehrish Naz³  Abdur Rauf⁴  Fahad D. Aldawsari⁵  Taibi Ben Hadda⁶ 

[1] Department of Chemistry, College of Science, King Saud University, P.O. Box 2455,Riyadh 11451, Saudi Arabia;Department of Chemistry, The University of Jordan, Amman 11942, Jordan;Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75210, Pakistan;Institute of Chemical Sciences, University of Peshawar, Peshawar 25120, Pakistan;King Abdulaziz City for Science and Technology, P.O. Box 6086, Riyadh 11442, Saudi Arabia;Lab of Chemical Material, Faculty of Sciences University Mohammed Premier, Oujda 60000, Morocco;

关键词: thienothiophene;    antibacterial activity;    antifungal activity, molecular docking;    Petra/Osiris/Molinspiration (POM) analyses;   

DOI  :  10.3390/molecules20021824

来源: DOAJ

【 摘 要 】

Several series of novel substituted thienothiophene derivatives were synthesized by reacting the synthone 1 with different reagents. The newly synthesized compounds were characterized by means of different spectroscopic methods such as IR, NMR, mass spectrometry and by elemental analyses. The new compounds displayed significant activity against both Gram-positive and Gram negative bacteria, in addition to fungi. Molecular docking and POM analyses show the crucial role and impact of substituents on bioactivity and indicate the unfavorable structural parameters in actual drug design: more substitution doesn’t guaranty more efficiency in bioactivity.

【 授权许可】

Unknown