kwic
novel
novel
right
off
ON
230
1
100
500
strict
ELIZA cgi-bash version rev. 1.90
- Medical English LInking keywords finder for the PubMed Zipped Archive (ELIZA) -
return
kwic search for novel out of >500 occurrences
330250 occurrences (No.59 in the rank) during 5 years in the PubMed. [cache]
--- ABSTRACT ---
--- ABSTRACT END ---
[frequency of next (right) word to novel]
330250 occurrences (No.59 in the rank) during 5 years in the PubMed. [cache]
| 230) In this study, we have used 3D-QSAR models and shape based virtual screening to identify novel MbtA inhibitors. |
| PMID:24417439 DOI:10.1080/07391102.2013.872052 |
| 2015 Journal of biomolecular structure & dynamics |
| * 3D-QSAR studies and shape based virtual screening for identification of novel hits to inhibit MbtA in Mycobacterium tuberculosis. |
| - Mycobacterium tuberculosis, the pathogen responsible for tuberculosis, uses various strategies to survive in a variety of host lesions. The re-emergence of multi-drug-resistant strains of M. tuberculosis underlines the necessity to discover new molecules. Inhibitors of aryl acid adenylating enzyme, MbtA, involved in siderophore biosynthesis in M. tuberculosis, are being explored as potential anti tubercular agents. In this study, we have used 3D-QSAR models and shape based virtual screening to identify novel MbtA inhibitors. 3D-QSAR studies were carried out on nucleoside bisubstrate derivatives. Both Comparative Molecular Field Analysis (r(2) = .944 and r(2)(pred) = .938) and Comparative Molecular Similarity Indices Analysis (r(2) = .892 and r(2)(pred) = .842) models, developed using Gasteiger charges with all fields, predicted efficiently. A total of 13 hits were identified as novel prospective inhibitors for MbtA by utilizing an insilico workflow. Out of 13 hits, five top ranked hits were used for further molecular dynamics studies to gain more insights about the stability of the complexes. |
[
right
kwic]
(1)22  therapeutic |
(17)3 mutation |
(33)2 approaches |
(49)2 information |
| (2)11 and |
(18)3 paradigm |
(34)2 autosomal |
(50)2 inhibitors |
| (3)8 mechanism |
(19)3 role |
(35)2 candidate |
(51)2 learning |
| (4)8 method |
(20)3 strain |
(36)2 cardiac |
(52)2 modulators |
| (5)7 approach |
(21)3 target |
(37)2 clinical |
(53)2 object |
| (6)7 mutations |
(22)3 targeted |
(38)2 compounds |
(54)2 oral |
| (7)6 therapies |
(23)3 targets |
(39)2 data |
(55)2 polymer |
| (8)5 technique |
(24)3 treatment |
(40)2 described |
(56)2 potent |
| (9)4 strategies |
(25)3 type |
(41)2 dual |
(57)2 prognostic |
| (10)4 strategy |
(26)3 words |
(42)2 electroporation |
(58)2 putative |
| (11)4 surgical |
(27)2 *null* | (43)2 finding |
(59)2 recombinants |
| (12)3 antibacterial |
(28)2 anti-tumor |
(44)2 findings |
(60)2 results |
| (13)3 drug |
(29)2 antibiotic |
(45)2 form |
(61)2 therapeutical |
| (14)3 homozygous |
(30)2 anticancer |
(46)2 genetic |
(62)2 titanium |
| (15)3 insights |
(31)2 application |
(47)2 imaging |
(63)2 treatments |
| (16)3 mechanisms |
(32)2 applications |
(48)2 in |
add keyword
--- WordNet output for novel ---