Design, synthesis via a one-pot approach and molecular docking studies of novel pyrrolo[2,1-a]isoquinoline derivatives

Boruah, Dhruba Jyoti and Kathirvelan, Devarajan and Borra, Satheesh and et al, . (2022) Design, synthesis via a one-pot approach and molecular docking studies of novel pyrrolo[2,1-a]isoquinoline derivatives. New Journal of Chemistry, 46 (2). pp. 792-797. ISSN 1144-0546

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Abstract

This new investigation describes an efficient three-component approach for the stereoselective synthesis of pyrrolo[2,1-a]isoquinolines from readily available isatins, chalcones and 1,2,3,4-tetrahydroisoquinoline without using a metal catalyst or additive. The synthetic methodology was found to be equally successful with differently functionalised secondary amines. A series of pyrrolo[2,1-a]isoquinolines were synthesised in good yields (up to 87%), and a single diastereomer product was formed exclusively in all the cases. The comprehensive analysis of the interaction between the ligand and the receptor obtained from in silico molecular docking on the active sites of ACP reductase (4OHU) indicates that our synthesised compounds have better anti-tuberculosis properties than the standard drug Rifampicin. © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

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IITH Creators:

IITH Creators	ORCiD

Item Type:

Article

Additional Information:

The authors thank the Council of Scientific and Industrial Research, India (OLP 2043 &2024) and the Science and Engineering Research Board (SERB) New Delhi, India (GPP 0334 –Ref. No: EEQ/2017/000161) for financial support. We are also grateful to the Director, CSIR-NEIST, Jorhat, India, for his keen interest in this work.

Uncontrolled Keywords:

Chalcones; Component approaches; Design synthesis; Docking studies; Isoquinolines; Molecular docking; One pot; Stereoselective synthesis; Synthesised; Three-component

Subjects:

Others > Chemical sciences
Chemistry

Divisions:

Department of Chemistry

Depositing User:

. LibTrainee 2021

Date Deposited:

15 Jul 2022 06:52

Last Modified:

15 Jul 2022 06:52

URI:

http://raiithold.iith.ac.in/id/eprint/9729