Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterial NAD+-dependent DNA ligase inhibitors

Rama P. Tripathi; Jyoti Pandey; Vandana Kukshal; Arya Ajay; Mridul Mishra; Divya Dube; Deepti Chopra; R. Dwivedi; Vinita Chaturvedi; Ravishankar Ramachandran

doi:10.1039/C0MD00246A

Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterialNAD⁺-dependent DNA ligase inhibitors†

Rama P. Tripathi,*^a Jyoti Pandey,‡^a Vandana Kukshal,‡^c Arya Ajay,^a Mridul Mishra,^a Divya Dube,^c Deepti Chopra,^c R. Dwivedi,^b Vinita Chaturvedi^b and Ravishankar Ramachandran*^c

Author affiliations

* Corresponding authors

^a Medicinal and Process Chemistry Division, P.O. Box 173, Mahatma Gandhi Marg, India
E-mail: rpt.cdri@gmail.com, rp_tripathi@cdri.res.in, r_ravishankar@cdri.res.in
Fax: +91 522 2623405/2623938/2629504
Tel: +91 0522 2612411

^b Drug Target Discovery and Development Division, P.O. Box 173, Mahatma Gandhi Marg, India

^c Molecular and Structural Biology Division, Central Drug Research Institute Chattar Manzil, P.O. Box 173, Mahatma Gandhi Marg, India

Abstract

A series of dispiro-cycloalkanones were synthesized using the “Corey Chaykovsky” reaction of α,α′-(E,E)-bis(benzylidene)-cycloalkanones/methanone in good yields. The compounds were evaluated for their in vitro antituberculosis activity against M. tuberculosis H37Rv and screened in silico. Some selected compounds were screened for mycobacterial NAD⁺-dependent DNA ligase inhibitory activity. Two of the compounds showed good in vitro antitubercular and NAD⁺-dependent DNA ligase inhibitory activity along with good correlation to in silico results.

MedChemComm

Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterialNAD⁺-dependent DNA ligase inhibitors†

Abstract

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Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterial NAD⁺-dependent DNA ligase inhibitors

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MedChemComm

Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterialNAD+-dependent DNA ligase inhibitors†

Abstract

Supplementary files

Article information

Download Citation

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Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterial NAD+-dependent DNA ligase inhibitors

Search articles by author

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Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterialNAD⁺-dependent DNA ligase inhibitors†

Synthesis, in silico screening and bioevaluation of dispiro-cycloalkanones as antitubercular and mycobacterial NAD⁺-dependent DNA ligase inhibitors