Putative Drug Target Identification in Tinea Causing Pathogen Trichophyton rubrum Using Subtractive Proteomics Approach

Abuthakir, Mohamed Hussain Syed; Jebastin, Thomas; Sharmila, Velusamy; Jeyam, Muthusamy

doi:10.1007/s00284-020-02114-z

Cited by 6 publications

(3 citation statements)

References 39 publications

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“…Since many glycosyltransferases in fungi are play important roles in the synthesis of various compounds, they provide for promising targets for antifungal therapy [7]. Mnn9 protein is a very potential target as it is mainly involved in the metabolic pathway and various types of N-glucan biosynthesis pathway [5]. Metabolic pathways are very important for the production of many biological materials such as carbohydrates, lipids, proteins, lipoproteins, nucleic acids, amino acids, proteins and secondary metabolites which is essential for the growth and reproduction of species [39].…”

Section: Discussionmentioning

confidence: 99%

“…Currently available drugs are mainly targeting ergosterol biosynthesis pathway and these drugs are not only interacting with fungal proteins but also with human proteins thereby causing side effects in human [4]. For avoiding these interactions, this study focuses on the putative drug target Glycosyltransferase family 62 protein (F2SC98) which is present only in T.rubrum not in human, human gut microbiota and also it is non-druggable target [5].…”

Section: Introductionmentioning

confidence: 99%

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Finding inhibitor from phytochemicals for novel target Glycosyltransferase family 62 protein in Trichophyton rubrum using insilico study

Hussain

Elangovan²,

Malik

et al. 2022

Preprint

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The dermatophyte Trichophyton rubrum is producing more than 70% of dermatophytosis in human and animals. Glycosyltransferase family 62 protein in T.rubrum is potential and novel drug target which is non-homologous to human, human gut microbiota and it is not targeted by any drug. It is very essential for priming mannosyltransferase activity and different types of N-glucan biosynthesis. Various parts of medicinal plant Balanites aegyptiaca are used in treating many diseases in human especially skin diseases. Aim of this study is to find potential inhibitor from phytochemicals of various medicinal plant sources against the novel drug target. 3D structures of Glycosyltransferase family 62 protein was obtained by homology modeling and docked with the compounds from phytochemicals of various plant species using GLIDE and best pose of docked complex free energy was calculated by MM-GBSA analysis using PRIME. The stability of the best docked complex was evaluated by molecular dynamics simulation studies using Desmond module of Schrödinger. Cyanidin 3-O-rhamnoside had better result with novel target Glycosyltransferase family 62 protein of T.rubrum which has to be further assessed in vitro and in vivo.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Finding inhibitor from phytochemicals for novel target Glycosyltransferase family 62 protein in Trichophyton rubrum using insilico study

Hussain

Elangovan²,

Malik

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…Different tools were applied to determine the sequence and structural features as well as functions and localization of that protein. Both proteins were found to be cytoplasmic as predicted by PSORTb [ 36 ]. A proper identification of the potential drug targets and inhibitors is crucial for the treatment of this disease due to their emerging multidrug resistance (MDR) patterns.…”

Section: Discussionmentioning

confidence: 99%

Subtractive genomics and molecular docking approach to identify drug targets against Stenotrophomonas maltophilia

et al. 2021

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Stenotrophomonas maltophilia is a multidrug resistant pathogen associated with high mortality and morbidity in patients having compromised immunity. The efflux systems of S. maltophilia include SmeABC and SmeDEF proteins, which assist in acquisition of multiple-drug-resistance. In this study, proteome based mapping was utilized to find out the potential drug targets for S. maltophilia strain k279a. Various tools of computational biology were applied to remove the human-specific homologous and pathogen-specific paralogous sequences from the bacterial proteome. The CD-HIT analysis selected 4315 proteins from total proteome count of 4365 proteins. Geptop identified 407 essential proteins, while the BlastP revealed approximately 85 non-homologous proteins in the human genome. Moreover, metabolic pathway and subcellular location analysis were performed for essential bacterial genes, to describe their role in various cellular processes. Only two essential proteins (Acyl-[acyl-carrier-protein]—UDP-N acetyl glucosamine O-acyltransferase and D-alanine-D-alanine ligase) as candidate for potent targets were found in proteome of the pathogen, in order to design new drugs. An online tool, Swiss model was employed to model the 3D structures of both target proteins. A library of 5000 phytochemicals was docked against those proteins through the molecular operating environment (MOE). That resulted in to eight inhibitors for both proteins i.e. enterodiol, aloin, ononin and rhinacanthinF for the Acyl-[acyl-carrier-protein]—UDP-N acetyl glucosamine O-acyltransferase, and rhazin, alkannin beta, aloesin and ancistrocladine for the D-alanine-D-alanine ligase. Finally the ADMET was done through ADMETsar. This study supported the development of natural as well as cost-effective drugs against S. maltophilia. These inhibitors displayed the effective binding interactions and safe drug profiles. However, further in vivo and in vitro validation experiment might be performed to check their drug effectiveness, biocompatibility and their role as effective inhibitors.

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Subtractive genomics study for the identification of therapeutic targets against Cronobacter sakazakii: A threat to infants

Ahammad,

Bushra Lamisa,

Sharmin

et al. 2024

Heliyon

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Putative Drug Target Identification in Tinea Causing Pathogen Trichophyton rubrum Using Subtractive Proteomics Approach

Cited by 6 publications

References 39 publications

Finding inhibitor from phytochemicals for novel target Glycosyltransferase family 62 protein in Trichophyton rubrum using insilico study

Finding inhibitor from phytochemicals for novel target Glycosyltransferase family 62 protein in Trichophyton rubrum using insilico study

Subtractive genomics and molecular docking approach to identify drug targets against Stenotrophomonas maltophilia

Subtractive genomics study for the identification of therapeutic targets against Cronobacter sakazakii: A threat to infants

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