Design and Synthesis Pairing Between Xanthene and Tetrazole in Pentacyclic System Using Tetrachlorosilane with Aurora Kinase Inhibitor Validation

Abstract

A competent new one-pot synthesis for tetrahydrobenzo [f]chromeno [3,2-c]tetrazolo[1,5-a]azepines through the catalytic synthesis of related xanthenes. β-naphthol, dimedone, aromatic aldehydes were stirred under solvent free condition in the presence of tetrachlorosilane (TCS), then azidochlorosilane (which prepared in situ from sodium azide and TCS in acetonitrile as solvent) was added and the reaction was stirred at 50-60 oC. A molecular docking of the synthesized compounds was carried out in order to investigate their binding pattern with the prospective target Aurora kinase all the synthesized molecules gave strong interaction with protein pocket residues and low energy score (À6.99 to À6.52 kcal/mol and rmsd < 1.5) compared with AKI-001 reference molecule (À5.87 kcal/mol and rmsd = 0.90).

Biological Evaluation and Molecular Docking with In Silico Physicochemical, Pharmacokinetic and Toxicity Prediction of Pyrazolo[1,5-a]pyrimidines

“…ALP enzyme structure as a phosphate has been determined by X-ray technique [38]. The inhibition of ALP presents a unique challenge since the active site pocket is characteristically shallow and, in continuation of our work [39][40][41] to discover new drug enzyme interactions, we present this calculated part.…”

V2O5 based quadruple nano‐perovskite as a new catalyst for the synthesis of bis and tetrakis heterocyclic compounds

“…Heterogeneous catalytic reactions for design and synthesis of heterocyclic compounds play an important role in our group, and so, this work was presented. The reaction started by optimization step to measure the efficiency of the prepared catalyst in organic synthesis especially in the preparation of polynuclear organic moieties and after the data obtained from this step we found that the best reaction condition as follows: The reaction is started by mixing two moles of 4‐hydroxycoumarin and one mole of benzaldehyde in the presence of V 2 O 5 /perovskite (NPs) at 60–70 °C under dry condition Scheme and on the way to prove the effectiveness of the synthesized catalyst we make comparable series of the same reaction and change the type of catalyst as perovskite, V 2 O 5 , and V 2 O 5 /perovskite respectively in the reaction between 4‐hydroxycoumarin and benzaldehyde.…”

Red-sea dolomite as a sustainable catalyst in the synthesis of bis-indolyl methanes with molecular docking validation as HIV-1 replication inhibitor

“…The phenomenon of applying catalysis in the organic reaction is endlessly fascinating and perennially new. Our research group all time looking for discovering new catalysts and make their characterization then using them in organic synthesis development [20][21][22][23][24][25][26][27][28]. Herein we presented a new category of catalyst used to synthesis the significant class of organic compounds (BIM).…”