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 A Facile One-Pot Solvent-Free Synthesis, in Vitro and in Silico Studies of a Series of Tetrahydropyridine Derivatives as Breast Cancer Inhibitors Subject The topic of the resource Ammonium trifluoroacetate; Cancer; Molecular docking; Multicomponent reactions; Tetrahydropyridines Description An account of the resource Ammonium trifluoroacetate (ATA) catalysed synthesis of 1,2,5,6-tetrahydropyridine (THP) derivatives, under eco-friendly conditions via a facile one-pot strategy. We have synthesized fifteen THP derivatives, and docked into the crystal structure of Phosphatase and Tensin Homolog deleted on Chromosome 10 (PTEN) tumour suppressor protein (PDB ID: 1D5R) based on drug-likeness prediction and pharmacokinetic properties. Molecular docking simulation studies reveal that four of our synthesised compounds are potential hit candidates because they bound to the receptor through 57 conventional hydrogen bonds with ?9.7 to ?8.6 kcal/mol of binding energy. The compounds were evaluated using the in vitro inhibitory activity of MCF-7 breast cancer cell lines. Identified hit compounds showed moderate inhibition at (160320 ?g/mL) and inhibitory concentration IC50 values in the low micromolar range of 171.062, 189.803, 195.469 and 181.272 ?g/mL respectively. The results obtained are very promising; therefore fine-tuning the substituents of hit molecules with appropriate bioisosteres can lead to the development of potential leads. 2023 Wiley-VCH GmbH. Creator An entity primarily responsible for making the resource Duraisamy R.; Nagaraja P.; Nizam A.; Venugopala Katharigatta N.; Nagarajaiah H.; Madhusudana Reddy M.B.; Thirumalai D. Source A related resource from which the described resource is derived ChemistrySelect, Vol-8, No. 43 Publisher An entity responsible for making the resource available John Wiley and Sons Inc Date A point or period of time associated with an event in the lifecycle of the resource 2023-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1002/slct.202302533" target="_blank" rel="noreferrer noopener">https://doi.org/10.1002/slct.202302533</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85176444227&amp;doi=10.1002%2Fslct.202302533&amp;partnerID=40&amp;md5=d9553f948438fea9c9aa34a5887b1ee6" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85176444227&amp;doi=10.1002%2fslct.202302533&amp;partnerID=40&amp;md5=d9553f948438fea9c9aa34a5887b1ee6</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 23656549 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 Duraisamy R., Organic Synthesis and Nano Bio Laboratory, Department of Chemistry, Thiruvalluvar University, Tamil Nadu, Vellore, 632115, India; Nagaraja P., Department of Biotechnology, REVA University, Karnataka, Bangalore, 560064, India; Nizam A., Department of Chemistry, CHRIST University, Karnataka, Bangalore, 560029, India; Venugopala Katharigatta N., Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-, Ahsa, 31982, Saudi Arabia; Nagarajaiah H., Department of Chemistry, REVA University, Karnataka, Bangalore, 560064, India; Madhusudana Reddy M.B., Department of Chemistry, REVA University, Karnataka, Bangalore, 560064, India; Thirumalai D., Organic Synthesis and Nano Bio Laboratory, Department of Chemistry, Thiruvalluvar University, Tamil Nadu, Vellore, 632115, India