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Synthesis, bioactivity, molecular docking and POM analyses of novel substituted thieno[2,3-b]thiophenes and related congeners.

ABSTRACT: 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.

SUBMITTER: Mabkhot YN 

PROVIDER: S-EPMC6272574 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature

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Synthesis, bioactivity, molecular docking and POM analyses of novel substituted thieno[2,3-b]thiophenes and related congeners.

Mabkhot Yahia N YN   Aldawsari Fahad D FD   Al-Showiman Salim S SS   Barakat Assem A   Hadda Taibi Ben TB   Mubarak Mohammad S MS   Mubarak Mohammad S MS   Naz Sehrish S   Ul-Haq Zaheer Z   Rauf Abdur A  

Molecules (Basel, Switzerland) 20150123 2

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  ...[more]

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