Literature DB >> 24024775

Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity.

Bahareh Honarparvar1, Thavendran Govender, Glenn E M Maguire, Mahmoud E S Soliman, Hendrik G Kruger.   

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Year:  2013        PMID： 24024775     DOI： 10.1021/cr300314q

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  20 in total

1.  Molecular insight on the non-covalent interactions between carbapenems and L,D-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study.

Authors:  Thandokuhle Ntombela; Zeynab Fakhar; Collins U Ibeji; Thavendran Govender; Glenn E M Maguire; Gyanu Lamichhane; Hendrik G Kruger; Bahareh Honarparvar
Journal:  J Comput Aided Mol Des       Date:  2018-05-29       Impact factor: 3.686

2.  Compensatory role of double mutation N348I/M184V on nevirapine binding landscape: insight from molecular dynamics simulation.

Authors:  Wilson Karubiu; Soumendranath Bhakat; Mahmoud E S Soliman
Journal:  Protein J       Date:  2014-10       Impact factor: 2.371

3.  An insight to the molecular interactions of the FDA approved HIV PR drugs against L38L↑N↑L PR mutant.

Authors:  Zainab K Sanusi; Thavendran Govender; Glenn E M Maguire; Sibusiso B Maseko; Johnson Lin; Hendrik G Kruger; Bahareh Honarparvar
Journal:  J Comput Aided Mol Des       Date:  2018-02-03       Impact factor: 3.686

4.  Identification of potent L,D-transpeptidase 5 inhibitors for Mycobacterium tuberculosis as potential anti-TB leads: virtual screening and molecular dynamics simulations.

Authors:  Victor T Sabe; Gideon F Tolufashe; Collins U Ibeji; Sibusiso B Maseko; Thavendran Govender; Glenn E M Maguire; Gyanu Lamichhane; Bahareh Honarparvar; Hendrik G Kruger
Journal:  J Mol Model       Date:  2019-10-28       Impact factor: 1.810

5.  FoldamerDB: a database of peptidic foldamers.

Authors:  Bilal Nizami; Dorottya Bereczki-Szakál; Nikolett Varró; Kamal El Battioui; Vignesh U Nagaraj; Imola Cs Szigyártó; István Mándity; Tamás Beke-Somfai
Journal:  Nucleic Acids Res       Date:  2020-01-08       Impact factor: 16.971

Review 6.  Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development.

Authors:  Gleiciane Leal Moraes; Guelber Cardoso Gomes; Paulo Robson Monteiro de Sousa; Cláudio Nahum Alves; Thavendran Govender; Hendrik G Kruger; Glenn E M Maguire; Gyanu Lamichhane; Jerônimo Lameira
Journal:  Tuberculosis (Edinb)       Date:  2015-01-29       Impact factor: 3.131

7.  Based on Network Pharmacology and Molecular Dynamics Simulations, Baicalein, an Active Ingredient of Yiqi Qingre Ziyin Method, Potentially Protects Patients With Atrophic Rhinitis From Cognitive Impairment.

Authors:  Xueran Kang; Yuxing Sun; Bin Yi; Chenyan Jiang; Xiaojun Yan; Bin Chen; Lixing Lu; Fangze Shi; Yuanbo Luo; Yisheng Chen; Qian Wang; Runjie Shi
Journal:  Front Aging Neurosci       Date:  2022-06-10       Impact factor: 5.702

8.  Repurposing of existing antibiotics for the treatment of diabetes mellitus.

Authors:  Muhammad Shaiful Alam; Md Sohorab Uddin; Tahmida Shamsuddin; Maruf Rubayed; Tania Sharmin; Rasheda Akter; S M Zahid Hosen
Journal:  In Silico Pharmacol       Date:  2022-03-05

Review 9.  Artificial Intelligence and the Future of Diagnostic and Therapeutic Radiopharmaceutical Development:: In Silico Smart Molecular Design.

Authors:  Bahar Ataeinia; Pedram Heidari
Journal:  PET Clin       Date:  2021-08-05

10.  Enzymatic Synthesis of Galactosylated Serine/Threonine Derivatives by β-Galactosidase from Escherichia coli.

Authors:  Sooyoun Seo; Joseph Rebehmed; Alexandre G de Brevern; Salwa Karboune
Journal:  Int J Mol Sci       Date:  2015-06-15       Impact factor: 5.923
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