The outbreak of novel coronavirus disease (COVID-19) caused by SARS-CoV-2 poses a serious threat to human health and world economic activity. There is no specific drug for the treatment of COVID-19 patients at this moment. Traditionally, people have been using spices like ginger, fenugreek and onion, etc. for the remedy of a common cold. This work identifies the potential inhibitors of the main protease (M pro) and spike (S) receptor of SARS-CoV-2 from 10 readily available spices. These two proteins, S and M pro , play an important role during the virus entry into the host cell, and replication and transcription processes of the virus, respectively. To identify potential molecules an in-house databank containing 1040 compounds was built-up from the selected spices. Structure-based virtual screening of this databank was performed with two important SARS-CoV-2 proteins using Glide. Top hits resulted from virtual screening (VS) were subjected to molecular docking using AutoDock 4.2 and AutoDock Vina to eliminate false positives. The top six hits against M pro and top five hits against spike receptor subjected to 130 ns molecular dynamic simulation using GROMACS. Finally, the compound 1-, 2-, 3and 5-M pro complexes, and compound 17-, 18-, 19-, 20and 21spike receptor complexes showed stability throughout the simulation time. The ADME values also supported the drug-like nature of the selected hits. These nine compounds are available in onion, garlic, ginger, peppermint, chili and fenugreek. All the spices are edible and might be used as home remedies against COVID-19 after proper biological evaluation.

Synthesis of secondary amides from N-substituted amidines by tandem oxidative rearrangement and isocyanate eliminationAdvanced synthesis and catalysis -

No abstract

Intramolecular CH arylation of pyrone, pyridone, uracil, imidazole, and benzimidazole derivatives are carried out in the presence of a Pd catalyst to form potentially bioactive fused heterocyclic compounds, whereas the n-Bu3SnH-mediated aryl radical cyclization of the precursors 3 afforded mainly halogen-reduced uncyclized products.Key words: Pd(0) catalyst, CH arylation, intramolecular cyclization, regioselectivity.

A novel and concise route towards the synthesis of pyrimido [4,5-d]pyrimidines via a direct annulation reaction of N-uracil amidines with benzaldehydes under transition metal free conditions has been described. The requisite precursors Nuracil amidines are obtained via S N AE reaction on 6-chlorouracil with amidines. A series of pyrimido [4,5-d]pyrimidines has been synthesized in good to excellent yields by the direct annulation of N-uracil amidines with benzaldehydes using Cs 2 CO 3 as base and molecular oxygen as oxidant in t BuOH at 100 0 C. This synthetic protocol has a number of advantages such asoperational simplicity, use of green oxidant, avoidance of transition metal catalysts or ligands, and easy accessibility of the starting materials, making it a highly practical approach to access various pyrimido [4,5-d]pyrimidines of biological interest.[a] Dr.