Did you know ? If you order before Friday 14h we deliver 90PCT of the the time next Tuesday, GENTAUR another in time delivery

Pubmed ID :28571806
Publication Date : //

Bioinformatics approach to prioritize known drugs towards repurposing for tuberculosis.


New drugs are urgently needed to cure tuberculosis (TB) in a short period of time without causing any adverse effects since currently used drugs for the treatment of multi drug-resistant TB cause several adverse effects with poor success rate. Therefore, we aimed to prioritize known drugs towards repurposing for TB by employing bioinformatics approach in the present study. A total of 1554 FDA approved drugs were obtained from DrugBank. Serine/threonine-protein kinase, pknB (Rv0014c) of Mycobacterium tuberculosis (Mtb) was selected as the drug target since it involves in several vital functions of the Mtb. All of the 1554 drugs were subjected to molecular docking with pknB. Glide and AutoDock Vina were employed using rigid docking followed by induced fit docking protocol for prioritization of drugs. Out of 14 drugs prioritized, six are suggested as high-confident drugs towards repurposing for TB as they were consistently found within top 10 ranks of both methods, and strongly binding in the active site of the pknB. We also found atorvastatin as one of the high-confident drugs, which has already been demonstrated to be active against Mtb under in vitro conditions by other researchers. Therefore, we propose that the prioritized six high-confident drugs as potential candidates for repurposing for TB and suggest for further experimental studies. We also suggest that the bioinformatics procedure we have employed in this study could be effectively applied for prioritization of drugs for other diseases.

Authors : Brindha Sridharan , Vincent Savariar , Velmurugan Devadasan , Ananthakrishnan Dhanabalan , Sundaramurthi Jagadish Chandrabose , Gnanadoss John Joel ,

Related products :

Catalog number Product name Quantity
XGC-BiRDS-WGS-Hyb-Asmbl1 Bioinformatics of Roche and MiSeq data using hybrid approach for denovo genome analysis Sample
XGC-BiRDS-WGS-Hyb-Asmbl3 Bioinformatics of MiSeq and NextSeq 500 data using Hybrid approach for Denovo genome analysis Sample
XGC-BiRDS-WGS-Hyb-Asmbl2 Bioinformatics of Roche, MiSeq and NextSeq 500 data using Hybrid approach for Denovo genome analysis Sample
XGC-BiRDS-WGS-Hyb-Asmbl5 Bioinformatics of MiSeq and NextSeq 500 per HiSeq 2000 data using Hybrid approach for Denovo genome analysis Sample
XGC-BiRDS-WGS-Hyb-Asmbl6 Bioinformatics of MiSeq, NextSeq 500 per HiSeq 2000 and PacBio data using Hybrid approach for Denovo genome analysis Sample
XGC-BiRDS-WGS-Hyb-Asmbl4 Bioinformatics of Roche, MiSeq and NextSeq 500 per HiSeq 2000 data using Hybrid approach for Denovo genome analysis Sample
XGC-BiRDS-WGS-Hyb-Asmbl7 Bioinformatics of Roche, MiSeq, NextSeq 500 per HiSeq 2000 and Pacbio data using Hybrid approach for Denovo genome analysis Sample
TMS 07 TUBERCULOSIS FIRST LINE KIT (7 Slants) (with five antitubular drugs (Isoniazide, Strept 1 kit
TMS 07 TUBERCULOSIS FIRST LINE KIT (7 Slants) (with five antitubular drugs (Isoniazide, Strept 1 kit
TMS 08 TUBERCULOSIS SECOND LINE KIT (10 Slants) (with eight antitubular drugs (Kanamycin, Amikacin, Ethionamide, D_Cyclos 1 kit
TMS 08 TUBERCULOSIS SECOND LINE KIT (10 Slants) (with eight antitubular drugs (Kanamycin, Amikacin, Ethionamide, D_Cyclos 1 kit
BBS-CUST Bioinformatics and Biostatistics Service Bioinformatics and Biostatistics
XGC-BiRDS-MiSeq-RNASeq-Ref Bioinformatics of MiSeq data for comprehensive Reference based transcriptomics Bioinformatics of MiSeq data for comprehensive Reference based transcriptomics Bioinformatics of MiSeq data for compre Sample
CA381 Nitrofuran drugs ELISA kit; Sample: feed, veterinary drugs
HA381 Nitrofuran drugs ELISA kit Sensitivity 0.1ppb Sample feed, veterinary drugs 1 kit
ILE-TUB03 Infectious Disease ELISA Kits (96 Tests) Tuberculosis IgM (Mycobacterium tuberculosis) 1 kit
ILE-TUB01 Infectious Disease ELISA Kits (96 Tests) Tuberculosis IgG (Mycobacterium tuberculosis) 1 kit
ILE-TUB02 Infectious Disease ELISA Kits (96 Tests) Tuberculosis IgA (Mycobacterium tuberculosis) 1 kit
TA442 DOA Panel: 4 Drugs (Combination of any 4 drugs mentioned above), Urine, Individually Pouched, Bulk, DOA Rapid Tests 10
TA440 DOA Panel: 3 Drugs (Combination of any 3 drugs mentioned above), Urine, Individually Pouched, Bulk, DOA Rapid Tests 10
TA444 DOA Panel: 5 Drugs (Combination of any 5 drugs mentioned above), Urine, Individually Pouched, Bulk, DOA Rapid Tests 10
TA438 DOA Panel: 2 Drugs (Combination of any 2 drugs mentioned above), Urine, Individually Pouched, Bulk, DOA Rapid Tests 10
TA452 DOA Panel: 9 Drugs (Combination of any 9 drugs mentioned above), Urine, Individually Pouched, Bulk, DOA Rapid Tests 10
TA443 DOA Panel: 4 Drugs (Combination of any 4 drugs mentioned above), Urine, Individually Pouched, 25 Tests_Box, DOA Rapid Tests
TA447 DOA Panel: 6 Drugs (Combination of any 6 drugs mentioned above), Urine, Individually Pouched, 25 Tests_Box, DOA Rapid Tests


 

GENTAUR Belgium BVBA BE0473327336
Voortstraat 49, 1910 Kampenhout BELGIUM
Tel 0032 16 58 90 45

Fax 0032 16 50 90 45
info@gentaur.com | Gentaur





GENTAUR Ltd.
Howard Frank Turnberry House
1404-1410 High Road
Whetstone London N20 9BH
Tel 020 3393 8531 Fax 020 8445 9411
uk@gentaur.com | Gentaur

 

 




GENTAUR France SARL
9, rue Lagrange, 75005 Paris
Tel 01 43 25 01 50

Fax 01 43 25 01 60
RCS Paris B 484 237 888

SIRET 48423788800017

BNP PARIBAS PARIS PL MAUBERT BIC BNPAFRPPPRG

france@gentaur.com | Gentaur

GENTAUR GmbH
Marienbongard 20
52062 Aachen Deutschland
Support Karolina Elandt
Tel: 0035929830070
Fax: (+49) 241 56 00 47 88

Logistic :0241 40 08 90 86
Bankleitzahl 39050000
IBAN lautet DE8839050000107569353
Handelsregister Aachen HR B 16058
Umsatzsteuer-Identifikationsnummer *** DE 815175831
Steuernummer 201/5961/3925
de@gentaur.com | Gentaur

GENTAUR U.S.A
Genprice Inc, Logistics
547, Yurok Circle
San Jose, CA 95123
CA 95123
Tel (408) 780-0908,
Fax (408) 780-0908,
sales@genprice.com

Genprice Inc, Invoices and accounting
6017 Snell Ave, Ste 357
San Jose, CA 95123




GENTAUR Nederland BV
NL850396268B01 KVK nummer 52327027
Kuiper 1
5521 DG Eersel Nederland
Tel:  0208-080893  Fax: 0497-517897
nl@gentaur.com | Gentaur
IBAN: NL04 RABO 0156 9854 62   SWIFT RABONL2U






GENTAUR Spain
tel:0911876558
spain@gentaur.com | Gentaur






ГЕНТАУЪР БЪЛГАРИЯ
ID # 201 358 931 /BULSTAT
София 1000, ул. "Граф Игнатиев" 53 вх. В, ет. 2
Tel 0035924682280 Fax 0035924808322
e-mail: Sofia@gentaur.com | Gentaur
IBAN: BG11FINV91501014771636
BIC: FINVBGSF

GENTAUR Poland Sp. z o.o.


ul. Grunwaldzka 88/A m.2
81-771 Sopot, Poland
TEL Gdansk 058 710 33 44 FAX  058 710 33 48              

poland@gentaur.com | Gentaur

Other countries

Österreich +43720880899

Canada Montreal +15149077481

Ceská republika Praha +420246019719

Danmark +4569918806

Finland Helsset +358942419041

Magyarország Budapest +3619980547

Ireland Dublin+35316526556

Luxembourg+35220880274

Norge Oslo+4721031366

Sverige Stockholm+46852503438

Schweiz Züri+41435006251

US New York+17185132983

GENTAUR Italy
SRL IVA IT03841300167
Piazza Giacomo Matteotti, 6
24122 Bergamo Tel 02 36 00 65 93
Fax 02 36 00 65 94
italia@gentaur.com | Gentaur