Literature DB >> 31878898

Correction to: Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations.

Shailima Rampogu1, Ayoung Baek1, Amir Zeb1, Keun Woo Lee2.   

Abstract

Following publication of the original article [1], the authors reported errors in Figure 3, Figure 14a, Figure 18, Figure 19b, Additional file 3 and Additional file 7.

Entities:  

Year:  2019        PMID: 31878898      PMCID: PMC6933660          DOI: 10.1186/s12885-019-6378-6

Source DB:  PubMed          Journal:  BMC Cancer        ISSN: 1471-2407            Impact factor:   4.430


Correction to: BMC Cancer (2018) 18:264 https://doi.org/10.1186/s12885-018-4050-1 Following publication of the original article [1], the authors reported errors in Fig. 3, Fig. 14a, Fig. 18, Fig. 19b, Additional file 3 and Additional file 7. The title of Additional file 9 contains a typing error and is correctly given below.
Fig. 3

Most active compound (IC50 = 0.2) mapped to all the features

Fig. 14

a Molecular interaction between the reference- protein (purple). Green dotted lines indicate the hydrogen bonds. The residues are represented in orange stick model

Fig. 18

Binding mode assessment of compounds. The co-crystal is represented in gray, reference is denoted in green and the Hit in orange. All the three follow the same pattern

Fig. 19

b Intermolecular interactions between the ligand and the protein. Green dotted lines represent the hydrogen bonds. The protein residues are indicated in cyan

Most active compound (IC50 = 0.2) mapped to all the features a Molecular interaction between the reference- protein (purple). Green dotted lines indicate the hydrogen bonds. The residues are represented in orange stick model Binding mode assessment of compounds. The co-crystal is represented in gray, reference is denoted in green and the Hit in orange. All the three follow the same pattern b Intermolecular interactions between the ligand and the protein. Green dotted lines represent the hydrogen bonds. The protein residues are indicated in cyan The following typing errors have been identified: Further to this, in Table 1, HyP is incorrectly represented as HyB and Hy-Ali as HyAli/HY-Ali. The corrected Table 1 can be found here.

Table 1

Hypo noTotal costaCost differenceRMSDbCorrelationFeaturescMax fit
Hypo1111.9571.220.70.97Hy-Ali, 2HyP,RA11.4
Hypo 2113.3169.860.70.96Hy-Ali, 2HyP,RA11.5
Hypo 3116.4566.710.80.95Hy-Ali,HyP,RA,HBA11.9
Hypo 4116.4766.691.00.94HBA, HBD 2HyP10.7
Hypo 5117.1166.050.90.94Hy-Ali,HyP,RA,HBA11.5
Hypo 6119.5163.651.00.93HBA,HBD,2HyP11.26
Hypo 7119.5263.650.90.95HBA,2HyP,RA12.65
Hypo 8119.8263.350.90.94HBA,Hy-Ali,HBD,RA12.33
Hypo 9119.9463.231.20.91HBA,Hy-Ali,2HyP, RA11.98
Hypo10120.5262.651.10.91HBA,HBD, Hy-Ali7.8
Table 1 These corrections do not alter the context of the manuscript. Additional file 3. 2D interaction representation of the reference compound and 4AG8. Detailed molecular interactions of the reference compound. Additional file 7. 2D interaction representation of the reference compound and 1URW. Molecular interaction details of the reference compound. Additional file 9. Active sites comparison. Comparison of the active site residues of 4AG8 and 1URW.
Page noColumn/paragraphlinePresent wordChange to
1Abstract/results2ofabove
21/22CyclicCyclin
22/13VEGFRVEGFR-2
122/13prognosisprogression
122/110formfrom
19Above conclusions4Cyc919Cys919
102/11320 ps20 ns
102/11525 ps25 ns
132/16fourfive
Table 5/ referencevan der Waals interactionsasn900leu1044Asn900, Ile1044
Fig 1030 ps30 ns
Fig 16refrencereference
  1 in total

1.  Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations.

Authors:  Shailima Rampogu; Ayoung Baek; Amir Zeb; Keun Woo Lee
Journal:  BMC Cancer       Date:  2018-03-07       Impact factor: 4.430

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.