Electrochemical Synthesis of Imidazopyridine and Benzylidene Malononitrile

A one-pot electrochemical synthesis of two medically interesting compounds is presented. 2-Phenylimidazo[1,2-a]pyridine and 2-(4-fluorobenzylidene)malononitrile were prepared using previously used starting materials. The reaction consists of electrochemical methods without adding additional reagents, giving product yields of about 82–90% at 5.0 V, leading to a different approach for synthesizing important organic compounds with efficient route

BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions

In this work we have found that a BODIPY can be used as an electron withdrawing group for the activation of double bonds in asymmetric catalysis. The synthesis of cyclohexyl derivatives containing a BODIPY unit can easily be achieved via trienamine catalysis. This allows a new different asymmetric synthesis of BODIPY derivatives and opens the door to future transformation of this useful fluorophore. In addition, the Quantum Chemistry calculations and mechanistic studies provide insights into the role of BODIPY as an EWGSpanish Government (CTQ2015-64561-R, CTQ2016-76061-P), CONACYT (project supported by the Fondo Sectorial de Investigación para la Educación) and PRODEP (Mexico) are acknowledged. We acknowledge allocation of computing time at the CCC-UAM. A. G. C. thanks MINECO (FPI) and T. J. P. CONACYT for PhD fellowships, respectively. A. M. S. thanks CAM for a postdoctoral contract (2016-T2/IND-1660). The authors wish to thank ''Comunidad de Madrid'' for its support to the FotoArt-CM Project (S2018/NMT-4367) through the Program of R&D activities between research groups in Technologies 2013, co-financed by European Structural Fund

Synthesis and Evaluation of Biological Activities for a Novel 1,2,3,4-Tetrahydroisoquinoline Conjugate with Dipeptide Derivatives: Insights from Molecular Docking and Molecular Dynamics Simulations

Peptide synthesis has opened new frontiers in the quest for bioactive molecules with limitless biological applications. This study presents the synthesis of a series of novel isoquinoline dipeptides using advanced spectroscopic techniques for characterization. These compounds were designed with the goal of discovering unexplored biological activities that could contribute to the development of novel pharmaceuticals. We evaluated the biological activities of novel compounds including their antimicrobial, antibacterial, and antifungal properties. The results show promising activity against Escherichia coli and potent antibacterial activity against MTCC 443 and MTCC 1688. Furthermore, these compounds demonstrate strong antifungal activity, outperforming existing standard drugs. Computational binding affinity studies of tetrahydroisoquinoline-conjugated dipeptides against E. coli DNA gyrase displayed significant binding interactions and binding affinity, which are reflected in antimicrobial activities of compounds. Our integrative significant molecular findings from both wet and dry laboratories would help pave a path for the development of antimicrobial therapeutics. The findings suggest that these isoquinoline-conjugated dipeptides could be excellent candidates for drug development, with potential applications in the fight against bacterial and fungal infections. This research represents an exciting step forward in the field of peptide synthesis and its potential to discover novel bioactive molecules with significant implications for human health