In silico analysis of phytochemicals as potential inhibitors of proteases involved in SARS-CoV-2 infection.

In silico analysis of six phytochemicals, flabelliferin, marmelosin, piperine, ocimin, curcumin and leucoanthocyanin, along with three drug compounds, nelfinavir, remdesivir and hydroxychloroquine, as positive control against drug targets of one SARS-CoV-2 viral protease, COVID-19 main protease (SARS CoV-2 3CLpro/Mpro), two coronavirus proteases, SARS-CoV main peptidase (SARS CoV Mpro), SARS-CoV main proteinase (SARS CoV 3CLpro), and one human cellular transmembrane serine proteinase (TMPRSS2), was carried out. Except leucoanthocyanin all other phytochemicals proved better than all three positive control drugs against SARS-CoV main peptidase, whereas, flabelliferin was found to be the potential inhibitor for SARS-CoV main proteinase out performing all the positive control drugs and phytochemicals. Amongst the compounds studied, the best inhibitor for COVID-19 main protease was nelfinavir followed by flabelliferin and ocimin. Flabelliferin was found to the best promising inhibitor of human cellular transmembrane serine proteinase, followed by nelfinavir, curcumin, piperine and marmelosin. The result on the inhibition of human cellular transmembrane serine proteinase against COVID-19 has a stable therapeutic advantage as mutation may quickly occur on viral drug targets. Hence, all the phytochemicals tested in the present study are the potential inhibitors of the all the four drug targets and can form a part of therapeutics against COVID-19 with further clinical studies.Communicated by Ramaswamy H. Sarma.

In silico assisted identification of peppery aroma compound 'rotundone' backbone genes from black pepper.

Rotundone, an oxygenated sesquiterpene compound, responsible for the peppery aroma. The importance of the rotundone in the flavor industry warrants search for the precursor genes in plants. We report in this study, the first on the identification of rotundone backbone genes viz., α-guaiene synthase & α-guaiene oxidase in black pepper. We identified the precursor genes of rotundone using berry transcriptome profiling. The metabolite profiling using head space mass spectrometry showed the presence of the direct precursor compounds for rotundone biosynthesis in black pepper berries. The identification of the genes & compounds of the guaiene skeleton is expected to help in bioprospecting of black pepper varieties & also in recombinant production of the aroma compound.Communicated by Ramaswamy H. Sarma [Formula: see text]Identification of rotundone backbone genes & precursor compounds from Piper nigrum.

De novo transcriptome sequencing assisted identification of terpene synthases from black pepper (Piper nigrum) berry.

Though the volatile profiles of black pepper have been reported already, the information on terpene synthase family genes is not known. In this study, using a combinatorial approach, the berry hybrid transcriptome assembly of llumina and nanopore sequencing, the entire terpene synthase family responsible for the biosynthesis of the flavor-imparting volatiles in black pepper berries was profiled. The profile shows 98 terpene synthases from various terpene synthesis pathways. Three important monoterpene synthases were also validated by targeted amplification, sequencing and homology modeling. This study provides the first of its kind information on the terpene synthase family profile in Piper nigrum, which is potentially a major step for further characterization of the functional terpene synthase genes in black pepper. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s12298-021-00986-4.