Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Synthesis and Multifaceted Exploration of 4-Phenylpiperidin-4-ol Substituted Pyrazole: Photophysical Insights with Biological Activity Subject The topic of the resource HOMO-LUMO; in-vitro and in-silico biological activity; Pyrazolones Description An account of the resource In this study, we successfully synthesized a pyrazole derivative, specifically 4-phenylpiperidin-4-ol substituted pyrazole (CHP), through the reaction of Grignard reagents in combination with pyrazole. This newly synthesized molecule was subjected to a comprehensive evaluation for both its photophysical and biological applications. Notably, CHP exhibited promising invitro antifungal and antibacterial activities, primarily attributed to the presence of the 4-phenylpiperidin-4-ol moiety and resulting component contributed to an enhanced absorption rate of lipids, thereby improving the pharmacological activity of CHP. This correlation between structure and function was further supported by the outcomes of structure-activity relationship studies. Additionally, we conducted in silico studies to examine the molecular interactions of the synthesized molecule with key proteins, including DNA Gyrase, Lanosterol 14 ?-demethylase, and KEAP1-NRF2. The results unveiled robust binding interactions at specific sites within these proteins, indicating potential therapeutic relevance. Furthermore, the photophysical properties of the synthesized compounds were thoroughly investigated using the ab-initio technique. This involved the determination of ground state optimization and HOMO-LUMO energy levels, all calculated with the DFT-B3LYP-6-31G(d) basis set. The assessment of the theoretically estimated HOMO-LUMO value provided insights into the global chemical reactivity descriptors, revealing that the synthesized molecule boasts a highly electronegative and electrophilic index. Taken together, our findings suggest that pyrazole derivatives with 4-phenylpiperidin-4-ol substitutions exhibit promising applications in both photophysical and biological contexts. 2024 Ghaferah H. Al-Hazmi et al., published by Sciendo. Creator An entity primarily responsible for making the resource Al-Hazmi G.H.; Marrakkur V.; Naik L.; Refat M.S. Source A related resource from which the described resource is derived Polish Journal of Chemical Technology, Vol-26, No. 3, pp. 1-7. Publisher An entity responsible for making the resource available Sciendo Date A point or period of time associated with an event in the lifecycle of the resource 2024-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.2478/pjct-2024-0023" target="_blank" rel="noreferrer noopener">https://doi.org/10.2478/pjct-2024-0023</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85197917348&amp;doi=10.2478%2Fpjct-2024-0023&amp;partnerID=40&amp;md5=48a0d539f2c3f4b5dca3203ce7db872f" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85197917348&amp;doi=10.2478%2fpjct-2024-0023&amp;partnerID=40&amp;md5=48a0d539f2c3f4b5dca3203ce7db872f</a> Rights Information about rights held in and over the resource All Open Access; Gold Open Access Relation A related resource ISSN: 15098117 Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Al-Hazmi G.H., Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia; Marrakkur V., Department of Chemistry, NMKRV College for Women, Bengaluru, 560006, India; Naik L., Department of Physics and Electronics, CHRIST (Deemed to be University), Bengaluru, 560029, India; Refat M.S., Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia