Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from<i>Gymnema sylvestre</i>against Insulin Receptor Protein

Hossain, Mohammad Uzzal; Khan, Mukhtar A.; Shah, Zaman; Ali, Mohammad Tuhin; Islam, M. Khyrul; Keya, Chaman Ara; Salimullah, Md.

doi:10.1155/2016/3187647

Cited by 37 publications

(21 citation statements)

References 42 publications

(59 reference statements)

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“…As the selection of effective therapeutics targets are the crucial things for the vaccine and drug design (Hasan et al, 2015; Khan et al, 2015; Oany et al, 2015; Hossain et al, 2016a,b; Hossain and Oany, 2016d) as well as for the building of networking (protein-protein interaction; Hossain et al, 2016c), our subtractive strategy will have a great impact in therapeutics discovery against S. flexneri .…”

Section: Resultsmentioning

confidence: 99%

Finding Potential Therapeutic Targets against Shigella flexneri through Proteome Exploration

Hossain

Khan²,

Hashem³

et al. 2016

Front. Microbiol.

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Background: Shigella flexneri is a gram negative bacteria that causes the infectious disease “shigellosis.” S. flexneri is responsible for developing diarrhea, fever, and stomach cramps in human. Antibiotics are mostly given to patients infected with shigella. Resistance to antibiotics can hinder its treatment significantly. Upon identification of essential therapeutic targets, vaccine and drug could be effective therapy for the treatment of shigellosis.Methods: The study was designed for the identification and qualitative characterization for potential drug targets from S. flexneri by using the subtractive proteome analysis. A set of computational tools were used to identify essential proteins those are required for the survival of S. flexneri. Total proteome (13,503 proteins) of S. flexneri was retrieved from NCBI and further analyzed by subtractive channel analysis. After identification of the metabolic proteins we have also performed its qualitative characterization to pave the way for the identification of promising drug targets.Results: Subtractive analysis revealed that a list of 53 targets of S. flexneri were human non-homologous essential metabolic proteins that might be used for potential drug targets. We have also found that 11 drug targets are involved in unique pathway. Most of these proteins are cytoplasmic, can be used as broad spectrum drug targets, can interact with other proteins and show the druggable properties. The functionality and drug binding site analysis suggest a promising effective way to design the new drugs against S. flexneri.Conclusion: Among the 53 therapeutic targets identified through this study, 13 were found highly potential as drug targets based on their physicochemical properties whilst only one was found as vaccine target against S. flexneri. The outcome might also be used as module as well as circuit design in systems biology.

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Section: Resultsmentioning

confidence: 99%

Finding Potential Therapeutic Targets against Shigella flexneri through Proteome Exploration

Hossain

Khan²,

Hashem³

et al. 2016

Front. Microbiol.

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“…As the in silico identified effective therapeutic [ 83 – 85 ], the probable vaccine and drug targets of CjR identified through this in silico approach are expected to contribute to development of new effective drugs and vaccines to treat campylobacteriosis. Our developed database (Figs 4 and 5 ) might also enable further exploration and characterization of CjR for the development of CjR specific therapeutics.…”

Section: Discussionmentioning

confidence: 99%

Pathway based therapeutic targets identification and development of an interactive database CampyNIBase of Campylobacter jejuni RM1221 through non-redundant protein dataset

Hossain¹,

Omar

Alam³

et al. 2018

PLoS ONE

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The bacterial species Campylobacter jejuni RM1221 (CjR) is the primary cause of campylobacteriosis which poses a global threat for human health. Over the years the efficacy of antibiotic treatment is becoming more fruitless due to the development of multiple drug resistant strains. Therefore, identification of new drug targets is a valuable tool for the development of new treatments for affected patients and can be obtained by targeting essential protein(s) of CjR. We conducted this in silico study in order to identify therapeutic targets by subtractive CjR proteome analysis. The most important proteins of the CjR proteome, which includes chokepoint enzymes, plasmid, virulence and antibiotic resistant proteins were annotated and subjected to subtractive analyses to filter out the CjR essential proteins from duplicate or human homologous proteins. Through the subtractive and characterization analysis we have identified 38 eligible therapeutic targets including 1 potential vaccine target. Also, 12 potential targets were found in interactive network, 5 targets to be dealt with FDA approved drugs and one pathway as potential pathway based drug target. In addition, a comprehensive database ‘CampyNIBase’ has also been developed. Besides the results of this study, the database is enriched with other information such as 3D models of the identified targets, experimental structures and Expressed Sequence Tag (EST) sequences. This study, including the database might be exploited for future research and the identification of effective therapeutics against campylobacteriosis. URL: (http://nib.portal.gov.bd/site/page/4516e965-8935-4129-8c3f-df95e754c562#Banner).

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“…Experimental data suggest that the plant medicinal compounds have considerable values of antidiarrheal activities but their exact modes of action yet to be investigated. Drug design studies focus on drug-protein interactions and these interactions are usually considered effective when found in active pocket of binding site of the protein (Hossain et al, 2016 ). According to this hypothesis, modeled VP4 protein and selected plant compounds were investigated for their appropriate binding.…”

Section: Discussionmentioning

confidence: 99%

Therapeutics Insight with Inclusive Immunopharmacology Explication of Human Rotavirus A for the Treatment of Diarrhea

Hossain

Hashem²,

Keya

et al. 2016

Front. Pharmacol.

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Rotavirus is the most common cause of severe infant and childhood diarrhea worldwide, and the morbidity and mortality rate is going to be outnumbered in developing countries like Bangladesh. To mitigate this substantial burden of disease, new therapeutics such as vaccine and drug are swiftly required against rotavirus. The present therapeutics insight study was performed with comprehensive immunoinformatics and pharmacoinformatics approach. T and B-cell epitopes were assessed in the conserved region of outer capsid protein VP4 among the highly reviewed strains from different countries including Bangladesh. The results suggest that epitope SU1 (TLKNLNDNY) could be an ideal candidate among the predicted five epitopes for both T and B-cell epitopes for the development of universal vaccine against rotavirus. This research also suggests five novel drug compounds from medicinal plant Rhizophora mucronata Lamk. for better therapeutics strategies against rotavirus diarrhea based on 3D structure building, pharmacophore, ADMET, and QSAR properties. The exact mode of action between drug compounds and target protein VP4 were revealed by molecular docking analysis. Drug likeness and oral bioavailability further confirmed the effectiveness of the proposed drugs against rotavirus diarrhea. This study might be implemented for experimental validation to facilitate the novel vaccine and drug design.

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Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs fromGymnema sylvestreagainst Insulin Receptor Protein

Cited by 37 publications

References 42 publications

Finding Potential Therapeutic Targets against Shigella flexneri through Proteome Exploration

Finding Potential Therapeutic Targets against Shigella flexneri through Proteome Exploration

Pathway based therapeutic targets identification and development of an interactive database CampyNIBase of Campylobacter jejuni RM1221 through non-redundant protein dataset

Therapeutics Insight with Inclusive Immunopharmacology Explication of Human Rotavirus A for the Treatment of Diarrhea

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