{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,24]],"date-time":"2026-06-24T19:01:52Z","timestamp":1782327712840,"version":"3.54.5"},"reference-count":63,"publisher":"MDPI AG","issue":"4","license":[{"start":{"date-parts":[[2022,2,21]],"date-time":"2022-02-21T00:00:00Z","timestamp":1645401600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002383","name":"King Saud University","doi-asserted-by":"publisher","award":["RSP-2021\/56"],"award-info":[{"award-number":["RSP-2021\/56"]}],"id":[{"id":"10.13039\/501100002383","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Researchers are interested in Schiff bases and their metal complexes because they offer a wide range of applications. The chemistry of Schiff bases of heterocompounds has got a lot of attention because of the metal\u2019s ability to coordinate with Schiff base ligands. In the current study, a new bidentate Schiff base ligand, N-((1H-pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine (MPM) has been synthesized by condensing 6-methoxypyridine-3-amine with pyrrole-2-carbaldehyde. Further, MPM is used to prepare Cu(II) and Co(II) metal complexes. Analytical and spectroscopic techniques are used for the structural elucidation of the synthesized compounds. Both MPM and its metal complexes were screened against Escherichia coli, Bacillus subtilis, Staphylococcus aureus and Klebsiella pneumoniae species for antimicrobial studies. Furthermore, these compounds were subjected to in silico studies against bacterial proteins to comprehend their best non-bonded interactions. The results confirmed that the Schiff base ligand show considerably higher binding affinity with good hydrogen bonding and hydrophobic interactions against various tested microbial species. These results were complemented with a report of the Conceptual DFT global reactivity descriptors of the studied compounds together with their biological scores and their ADMET computed parameters.<\/jats:p>","DOI":"10.3390\/molecules27041436","type":"journal-article","created":{"date-parts":[[2022,2,21]],"date-time":"2022-02-21T20:47:45Z","timestamp":1645476465000},"page":"1436","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":11,"title":["N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations"],"prefix":"10.3390","volume":"27","author":[{"given":"Vinusha","family":"Mariwamy","sequence":"first","affiliation":[{"name":"Department of Chemistry, Sri Jayachamarajendra College of Enegineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3914-3933","authenticated-orcid":false,"given":"Shiva","family":"Kollur","sequence":"additional","affiliation":[{"name":"School of Agriculture, Geography, Environment, Ocean and Natural Sciences (SAGEONS), Laucala Campus, The University of the South Pacific, Suva, Fiji"},{"name":"Department of Sciences, Amrita School of Arts and Sciences, Mysuru Campus, Amrita Vishwa Vidyapeetham, Mysore 570 026, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bindya","family":"Shivananda","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Sri Jayachamarajendra College of Enegineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muneera","family":"Begum","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Sri Jayachamarajendra College of Enegineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1886-139X","authenticated-orcid":false,"given":"Chandan","family":"Shivamallu","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chandan","family":"Dharmashekara","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9403-234X","authenticated-orcid":false,"given":"Sushma","family":"Pradeep","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anisha","family":"Jain","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1519-5205","authenticated-orcid":false,"given":"Shashanka","family":"Prasad","sequence":"additional","affiliation":[{"name":"Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570 026, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Asad","family":"Syed","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3664-7853","authenticated-orcid":false,"given":"Abdallah","family":"Elgorban","sequence":"additional","affiliation":[{"name":"Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Salim","family":"Al-Rejaie","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and Toxicology, College of Science, King Saud University, P.O. 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