In silico Discovery of Novel FXa Inhibitors by Pharmacophore Modeling and Molecular Docking
Sign Up to like & getrecommendations! Published in 2017 at "Natural Products and Bioprospecting"
DOI: 10.1007/s13659-017-0126-x
Abstract: Coagulation Factor Xa (FXa) is the crucial enzyme at the convergent point of the intrinsic and extrinsic coagulation pathways. The inhibition of FXa is an effective approach against thrombotic diseases. In the present study, a… read more here.
Keywords: fxa inhibitors; fxa; discovery novel; silico discovery ... See more keywords
In-silico discovery of bifunctional enzymes with enhanced lignocellulose hydrolysis from microbiota big data.
Sign Up to like & getrecommendations! Published in 2021 at "International journal of biological macromolecules"
DOI: 10.1016/j.ijbiomac.2021.02.014
Abstract: Due to the importance of using lignocellulosic biomass, it is always important to find an effective novel enzyme or enzyme cocktail or fusion enzymes. Identification of bifunctional enzymes through a metagenomic approach is an efficient… read more here.
Keywords: bifunctional enzymes; big data; enzyme; hydrolysis ... See more keywords
In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.
Sign Up to like & getrecommendations! Published in 2019 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.9b00264
Abstract: The 2-oxoglutarate (2OG)-dependent oxygenase JMJD6 is emerging as a potential anticancer target, but its inhibitors have not been reported so far. In this study, we reported an in silico protocol to discover JMJD6 inhibitors targeting… read more here.
Keywords: jmjd6; jmjd6 inhibitors; discovery jmjd6; silico discovery ... See more keywords
In silico discovery of small molecules that inhibit RfaH recruitment to RNA polymerase
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DOI: 10.1111/mmi.14093
Abstract: RfaH is required for virulence in several Gram‐negative pathogens including Escherichia coli and Klebsiella pneumoniae. Through direct interactions with RNA polymerase (RNAP) and ribosome, RfaH activates the expression of capsule, cell wall and pilus biosynthesis… read more here.
Keywords: discovery small; rfah recruitment; small molecules; rna polymerase ... See more keywords
In silico discovery and therapeutic potential of IDO1 and TDO2 inhibitors.
Sign Up to like & getrecommendations! Published in 2017 at "Future medicinal chemistry"
DOI: 10.4155/fmc-2017-0070
Abstract: The war on cancer has traditionally been fought by deploying ever-powerful tactics of killing cancer cells by irradiation, chemoand targeted-therapies. Many hard-fought battles have been won but novel strategies are necessary to declare ultimate victory… read more here.
Keywords: discovery therapeutic; potential ido1; cancer; therapeutic potential ... See more keywords