Polycyclic Aromatic Compounds最新文献

The β-Carboline and its derivatives are privileged heterocyclic motifs and important building blocks in the field of medicinal chemistry due to their remarkable pharmacological potentialities and their derivatives have attracted a great deal of interest due to their wide range of biological activities. β-Carboline contains tricyclic pyrido[3,4-b]indole moiety in their structure. The growing potential inherent in them encourages many researchers to address the challenges of the synthesis of β-Carboline framework. As a result, many methodologies have been developed to synthesize this important class of compounds. The present review is mainly an attempt to present the research work reported in the recent scientific literature focusing on different synthetic methods of β-Carboline and related derivatives.

A highly efficient eco-benign pathway was developed for the synthesis of a library of 34 bis(indoyl)methane derivatives using triethylammonium hydrogen sulfate ionic liquid as a green catalyst in high to excellent yields (82–98%) at room temperature. The reaction was easy to execute by simply mixing two equivalents of indole with one equivalent of different aldehydes (including aromatic, heterocyclic, and aliphatic) using ionic liquid as a catalyst and water as a solvent under stirring at mild reaction environment. The current methodology has several benefits such as operational simplicity, short time period (25–60 min), cost-efficient, environment-friendly, easily recoverable catalyst, and highly reusable up to five cycles.

In the present research work, ultrasound-assisted synthesis of a series of novel azomethine derivatives of 1-phenylimidazo[1,5-a]pyridine has been achieved. The synthetic route involves the conversion of ethyl-1-phenylimidazo-[1,5-a]pyridine-3-carboxylate to 1-phenylimidazo[1,5-a]pyridine-3-carbohydrazide followed by nucleophilic addition-elimination reaction with diverse aromatic aldehydes. The developed clean and simple protocol offers a set of advantages such as mild reaction conditions, environment friendliness, and high atom economy apart from excellent yields (70–92%). All compounds were found to be stable in atmospheric conditions for a long period of time and were soluble in polar solvents.

In Sri Lanka as well as the rest of the globe, cancer is the top cause of mortality. One of the key medicines in treating tumors is anticancer medications and delivery dendrimers. To prevent the formation of the rapid proliferation of cancer cells, several tests were carried out. Because of this, research on dendrimers and anti-cancer medications is crucial. Topological indices (TIs) are molecular descriptors numerical values corresponding to the physical characteristics of a molecule’s chemical structure. It costs money to determine a molecule’s physical characteristics in a lab since it takes a lot of materials, medications, and time. Therefore, the relevant information about molecules may be obtained by computing TIs. This study’s goals are to compute hitherto uncalculated eccentricity-based TIs for various anticancer structures and to use curvilinear regression models to forecast the physical characteristics of particular anticancer medications. These anticancer medications were given different TIs developed in this work, allowing the researchers to understand the physical, physicochemical, and chemical characteristics related to them. In addition comparative study of the novel indices with some well-known and mostly used indices in structure–property modeling and anticancer drugs in performed.

Imidazole-based compounds form a prominent class of heterocyclic compounds, displaying diverse applications, especially with regards to its biological and pharmacological activities. Molecular docking, simulations, and drug-likeness prediction were performed on 45 imidazole-based alkaloids from two species of marine sponges (Leucetta and Clathrina). The study seeks to identify possible inhibitors of the SARS-CoV-2 Main Protease in an effort to battle the prevailing pandemic which has been caused by the widespread infections of the SAR-CoV-2 virus in its varied mutated forms. Computational analysis with MOE 2015.10 program reveals that, among the imidazole-based alkaloids, Naamidines have a high affinity for the target protein (PDB ID:6W63), even interacting with the catalytic dyad, as compared to its non-covalent inhibitor X77. Among all the top-scoring ligands, Naamidine H produced the highest binding score of −8.87078 kcal/mol. MD simulation studies with NAMD confirms the stability of the interactions of Naamidines with the target protein. MM-GBSA calculations were performed on the top binding ligands which further confirms the binding affinity of the top-scoring ligands. Computational and pharmacological investigations in this study proposes Naamidines, as effective inhibitors of Mpro. Naamidine I, Naamidine E, and Pyronaamidine could be potential anti-viral candidates against SAR-CoV-2.