Synthesis and In Silico Drug-Likeness Modeling of 5-FU/ASA Hybrids

Round 1

Reviewer 1 Report

The article includes the design, synthesis, and computational drug-likeness modeling of a new family of 5-fluorouracil-aspirin hybrids, with triazole linkers. I found everything ok. Just some comments:

- The first time 5-FU is used, the full name (5-fluorouracil) should be used.

- Reference 13 has two articles, I think you should review the rest of the reference numbering, and the citations in the text as well.

In future articles, I recommend the authors include 19F-NMR in the characterization of fluorinated compounds. And use COSY or HMBC to ensure that 5-FU alkylation occurs at that N.

Author Response

Dear reviewer,

Thank you in advance for reviewing the manuscript entitled "Synthesis and in silico drug-likeness modeling of 5-FU/ASA Hybrids". In this regard, I inform you that it was corrected according to your valuable observations. The modifications can be found highlighted in the new version of the document to facilitate the review process.

Thank you so much.

Kind regards,

______________________              

Wilson Cardona-G                         

Chemistry Institute

Universidad de Antioquia

Colombia

Author Response File: Author Response.pdf

Reviewer 2 Report

The review is attached.

Comments for author File: Comments.pdf

Some misspelling are found.

Author Response

Dear reviewer,

Thank you in advance for reviewing the manuscript entitled "Synthesis and in silico drug-likeness modeling of 5-FU/ASA Hybrids". In this regard, I inform you that it was corrected according to your valuable observations. The modifications can be found highlighted in the new version of the document to facilitate the review process.

Thank you so much.

Kind regards,

______________________              

Wilson Cardona-G                         

Chemistry Institute

Universidad de Antioquia

Colombia

Author Response File: Author Response.pdf

Reviewer 3 Report

The current manuscript discloses the synthesis of a 5-FU-ASA hybrids (8 analogs) using click chemistry as the critical step. These compound's structures have been elucidated with NMR and HRMS. Authors have also attempted to predict these compounds' pharmacokinetic profiles. However, the authors have not included any experimental features of molecules to support the claims. Although these molecules have drug-likeness, that does not mean they could have therapeutic potential. The authors have not mentioned any specific targets/efforts or projects in which these scaffolds could be used for SAR investigation. The current manuscript lacks novelty and urgency for publication in MolBank.

Comments:

1. The manuscript should be written carefully. Page 1, line 1 "Molecular hybridization is the combination two o more pharmacophores in one molecule."
2. NMR spectra of the several compounds are not up to the mark. The impurities were observed in the NMR spectra of the 4a, 4b, 4c, 4d, 4g, 4h.

Moderate editing of English language required

Author Response

Dear reviewer,

Thank you in advance for reviewing the manuscript entitled "Synthesis and in silico drug-likeness modeling of 5-FU/ASA Hybrids". In this regard, I inform you that it was corrected according to your valuable observations. The modifications can be found highlighted in the new version of the document to facilitate the review process.

Thank you so much.

Kind regards,

______________________              

Wilson Cardona-G                         

Chemistry Institute

Universidad de Antioquia

Colombia

Author Response File: Author Response.pdf

Round 2

Reviewer 2 Report

The manuscript is appropriately revised accroding to reviewer's comments. I recommed the manuscrpt is accetped for Molecules.

Reviewer 3 Report

The authors have incorporated the suggested comments, and the manuscript can be accepted in its current form.

Minor editing of English language required