Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners
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 co...
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2015-01-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1420-3049/20/2/1824 |
| _version_ | 1818927982987706368 |
|---|---|
| author | Yahia N. Mabkhot Fahad D. Aldawsari Salim S. Al-Showiman Assem Barakat Taibi Ben Hadda Mohammad S. Mubarak Sehrish Naz Zaheer Ul-Haq Abdur Rauf |
| author_facet | Yahia N. Mabkhot Fahad D. Aldawsari Salim S. Al-Showiman Assem Barakat Taibi Ben Hadda Mohammad S. Mubarak Sehrish Naz Zaheer Ul-Haq Abdur Rauf |
| author_sort | Yahia N. Mabkhot |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-20T03:21:40Z |
| format | Article |
| id | doaj.art-d87a1253d3a946a88cf2aafe27df798e |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-20T03:21:40Z |
| publishDate | 2015-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-d87a1253d3a946a88cf2aafe27df798e2022-12-21T19:55:12ZengMDPI AGMolecules1420-30492015-01-012021824184110.3390/molecules20021824molecules20021824Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related CongenersYahia N. Mabkhot0Fahad D. Aldawsari1Salim S. Al-Showiman2Assem Barakat3Taibi Ben Hadda4Mohammad S. Mubarak5Sehrish Naz6Zaheer Ul-Haq7Abdur Rauf8Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaKing Abdulaziz City for Science and Technology, P.O. Box 6086, Riyadh 11442, Saudi ArabiaDepartment of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaDepartment of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaLab of Chemical Material, Faculty of Sciences University Mohammed Premier, Oujda 60000, MoroccoDepartment of Chemistry, The University of Jordan, Amman 11942, JordanDr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75210, PakistanDr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75210, PakistanInstitute of Chemical Sciences, University of Peshawar, Peshawar 25120, PakistanSeveral 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.http://www.mdpi.com/1420-3049/20/2/1824thienothiopheneantibacterial activityantifungal activity, molecular dockingPetra/Osiris/Molinspiration (POM) analyses |
| spellingShingle | Yahia N. Mabkhot Fahad D. Aldawsari Salim S. Al-Showiman Assem Barakat Taibi Ben Hadda Mohammad S. Mubarak Sehrish Naz Zaheer Ul-Haq Abdur Rauf Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners Molecules thienothiophene antibacterial activity antifungal activity, molecular docking Petra/Osiris/Molinspiration (POM) analyses |
| title | Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners |
| title_full | Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners |
| title_fullStr | Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners |
| title_full_unstemmed | Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners |
| title_short | Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners |
| title_sort | synthesis bioactivity molecular docking and pom analyses of novel substituted thieno 2 3 b thiophenes and related congeners |
| topic | thienothiophene antibacterial activity antifungal activity, molecular docking Petra/Osiris/Molinspiration (POM) analyses |
| url | http://www.mdpi.com/1420-3049/20/2/1824 |
| work_keys_str_mv | AT yahianmabkhot synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT fahaddaldawsari synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT salimsalshowiman synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT assembarakat synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT taibibenhadda synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT mohammadsmubarak synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT sehrishnaz synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT zaheerulhaq synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners AT abdurrauf synthesisbioactivitymoleculardockingandpomanalysesofnovelsubstitutedthieno23bthiophenesandrelatedcongeners |