A computational investigation of galactopyranoside esters as antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetics, and bioactivity prediction

Author:

Hosen Mohammed A.1,El Bakri Youness2ORCID,Rehman Hafiz Muzzammel34,Hashem Heba E.5ORCID,Saki Morteza6,Kawsar Sarkar M. A.1

Affiliation:

1. Department of Chemistry, Faculty of Science, University of Chittagong, Chittagong, Bangladesh

2. Department of Theoretical and Applied Chemistry, South Ural State University, Chelyabinsk, Russian Federation

3. School of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan

4. Alnoorians Group of Institutes, Lahore, Pakistan

5. Department of Chemistry, Faculty of Women, Ain Shams University, Cairo, Egypt

6. Department of Microbiology, Faculty of Medicine, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Reference70 articles.

1. Synthesis, Characterization, and Molecular Docking Against a Receptor Protein FimH of Escherichia coli (4XO8) of Thymidine Derivatives

2. Synthesis, antibacterial and cytotoxicity assessment of modified uridine molecules;Alam A.;Current Advances in Chemistry and Biochemistry,2021

3. Alen, M., & Schols, D. (2012). Broad antiviral activity of carbohydrate binding agents again dengue virus infection, carbohydrates-comprehensive studies on glycobiology and glycotechnology. Intech Open.

4. Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations

5. Synthesis, Antimicrobial, Anticancer, PASS, Molecular Docking, Molecular Dynamic Simulations & Pharmacokinetic Predictions of Some Methyl β-D-Galactopyranoside Analogs

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