Exploration of Indolo[3,2c]isoquinoline derived triazoles as potential antimicrobial and DNA cleavage agents: Synthesis, DFT calculations, and molecular modeling studies

Suliphuldevarada Mathada Basavarajaiah, Jaishree Badiger,Nagesh Gunavanthrao Yernale,Nidhi Gupta,Prashantha Karunakar, Bilgumba Thimmaiah Sridhar,Mohammad Javeed,K.S. Kiran,Budimath Rakesh

Bioorganic Chemistry（2023）

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摘要

•The novel indolo-isoquinoline analogs 7(a-h) were synthesized.•Spectral analysis and DFT calculations were made.•The Anti-microbial and DNA cleavage activities were disclosed.•Drug likeness predictions were investigated.•The molecular docking study and molecular dynamics were evaluated.

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关键词

triazoles,dna cleavage agents,molecular modeling studies,synthesis

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