Egative (Escherichia coli K12, Pseudomonas aeruginosa NACRES NA.24) bacterial strains, and for their antifungal activity (Candida albicans, VT000542, Aspergillus niger RMF02275L, Aspergillus clavatus, RMF02275L). The investigation was carried out by the agar diffusion system with slight modification (Matar et al., 2003; Moustafa, 2005). The tested selenopheno[2,3b]pyridine derivatives were added directly to the culture media,Frontiers in Chemistry | www.frontiersin.orgMay 2021 | Volume 9 | ArticleAbdellattif et al.Efficient Synthesis of SelenopyridinesMolinspiration method which results in success is not only a universal drug-likeness score but also focuses on distinct drug classes as well as the development of specific activity scores for every α9β1 site single of those classes. The technique utilizes sophisticated Bayesian statistics to compare structures of standard ligands active around the distinct target with structures of inactive molecules and to recognize substructure qualities (which in turn establish physicochemical properties) representative for active molecules (Lipinski et al., 1997; Ertl et al., 2000; Veber et al., 2002).Information AVAILABILITY STATEMENTThe original contributions presented inside the study are included within the article/Supplementary Material, additional inquiries is usually directed for the corresponding authors.AUTHOR CONTRIBUTIONSMMHA recommended the concept and interpret spectroscopic data. MHA interpreted the outcomes obtained from docking, performed the chemistry from the post, writing the draft, and validate the short article. AAHA-R performed the arrangement with the manuscript and wrote the final form. AA performed English editing and validate the short article. SM performed biological investigation. MAH performed chemistry and molecular SIRT5 Accession docking research. RO performed chemistry, edited English language, and discussed the outcomes and commented on the manuscript. MH performed theoretical chemistry, calculations, and discussed the outcomes. Ultimately, TA analyzed the information, edited English language, and discussed the outcomes and commented on the manuscript. All authors contributed to the write-up and approved the submitted version.CONCLUSIONThe developed seleno-pyridine derivatives were effectively synthesized in satisfactory yields beneath the stated reaction conditions by way of the exploitation with the microwave assisted green synthesis and screened for their antibacterial and antifungal prospective. The study results revealed that chosen compounds exhibited good-to-significant activity. Among these, compound 14f was found to be essentially the most potent antibacterial agent also as a superb antifungal agent, which could serve because the lead compound. Additionally, compound 14f displayed the highest energy interaction within the binding pocket within the molecular docking study. In sight of these details, compound 14f might be the concentrate of further investigations for potential antimicrobial agents and sustenance for the style of new molecules. Ultimately, the DFT calculations had been conducted to the molecular docking and the antimicrobial activity to give a complete investigation with regards to the chemical reactivity descriptors. The information revealed that the decrease hydrophobicity, greater topological polar surface location, reduced dipole moment, high H-bonding acceptor and donor, and in-silico absorption percentage of 14f explicates its highest biological activity.ACKNOWLEDGMENTSThe authors are very thankful for Taif University researcher supporting project Number TURSP/91, Taif University, Taif, Saudi Arabia.S.
