Evidence map›Paper›PMID 41498239›Full record

ArticleMedicinal chemistry (Shariqah (United Arab Emirates))2025

Synthesis, Docking, and Biological Studies of Pyrazine Derivatives as Antimycobacterial Agents.

Nagaraja Reddy Gangarapu, Archakam Ranganatham, Eeda Koti Reddy, Chakka Kiran Kumar, Shivaraj Yellappa, Kothapalli Bannoth Chandrasekhar, Elanchezhiyan Manickan

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Article in Medicinal chemistry (Shariqah (United Arab Emirates)), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

7 authors.

Nagaraja Reddy GangarapuDepartment of Chemistry, Government Science College, 560001, Bengaluru, Karnataka, India.
Archakam RanganathamLaboratory Division, National Tuberculosis Institute, Bangalore, India.
Eeda Koti ReddyDivision of Chemistry, Department of Science and Humanities, Vignan`s Foundation for Science, Technology and Research-VFSTR (Deemed to be University), Vadlamudi, Guntur, 522 213, Andhra Pradesh, India.
Chakka Kiran KumarDeparment of chemistry, QIS college of Engineering and Technology, Ongole-523272, Andra Pradesh, India.
Shivaraj YellappaDepartment of Chemistry, Government Science College, 560001, Bengaluru, Karnataka, India.
Kothapalli Bannoth ChandrasekharDepartment of Chemistry, Jawaharlal Nehru Technological University, Ananthapuramu, Andhra Pradesh, 515002, India.
Elanchezhiyan ManickanDepartment of Chemistry, University of Madras, Taramani, Chennai, 600113, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

introductionA series of novel 2-((3,5-diphenylpyrazin-2-yl)amino)-1-(piperidin-1- yl/pyrrolidin-1-yl)ethanone derivatives (5a-5l) were synthesized and evaluated for their tuberculosis activity using the standard strain H37Rv and two other clinically isolated multidrug-resistant strains with different resistances.

methodsAll compounds 5a-5l showed promising results in tuberculosis activity. Among them, 5g and 5i demonstrated remarkable activity at 5 μg/mL against H37Rv and three other MDR strains. The compounds 5c, 5d, and 5f were sensitive, showing inhibition between 15-25 μg/mL against M. tuberculosis growth. In-silico docking studies were conducted for 5a-5l using the 2FUM protein of M. tuberculosis.

resultsThese studies revealed that compounds 5g and 5i exhibited strong interactions with the MTB protein, with binding energies of -9.85 kcal/mol and -10.74 kcal/mol, respectively, and inhibitory concentrations of 0.38 μM and 0.77 μM.

conclusionMoreover, these motifs also displayed good binding energy coupled with favorable minimum inhibitory concentrations (MIC).

Indexed as

Antitubercular AgentsPiperidinesHumansMicrobial Sensitivity TestsMolecular Docking SimulationMycobacterium tuberculosisAntitubercular AgentsPiperidinesADMET.docking studiesH37RvMICPyrazinetuberculosis

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PMID41498239

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