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

Molecules

Yahia N. Mabkhot²  Fahad D. Aldawsari³  Salim S. Al-Showiman²  Assem Barakat²  Taibi Ben Hadda⁴  Mohammad S. Mubarak⁶  Sehrish Naz¹  Zaheer Ul-Haq¹  Abdur Rauf⁵ 

[1]Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75210, Pakistan

[2] E-Mails:

[3]Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia

[4] E-Mail:

[5]King Abdulaziz City for Science and Technology, P.O. Box 6086, Riyadh 11442, Saudi Arabia

[6] E-Mail:

[7]Lab of Chemical Material, Faculty of Sciences University Mohammed Premier, Oujda 60000, Morocco

[8] E-Mail:

[9]Institute of Chemical Sciences, University of Peshawar, Peshawar 25120, Pakistan

[10] E-Mail:

[11]Department of Chemistry, The University of Jordan, Amman 11942, Jordan

[12] E-Mail:

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

DOI  :  10.3390/molecules20021824

来源: mdpi

【 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】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.