In Silico Molecular Docking and Molecular Dynamics Analysis of Antimicrobial Triazole Derivatives: Insights from Synthesis, Computational and In Vitro Studies

Notably, compound 7 demonstrated the highest binding score to the 5C1P protein, suggesting its potential as a lead molecule for the development of potent and safer antimicrobial agents. This research contributes valuable insights into addressing the escalating challenge of bacterial resistance.

Authors

Monika Meghani
Naveen Kumawat
Bijo Mathew (ORCID: https://orcid.org/0000-0002-6658-4497)
Suraj N. Mali (ORCID: https://orcid.org/0000-0003-1995-136X)
Shikha Sharma (ORCID: https://orcid.org/0000-0002-9717-7819)
Nitin Kumar (ORCID: https://orcid.org/0009-0008-9517-8739)
Sunil Kumar

Institutions

Birla Institute of Technology, Mesra (IN)
Gurukul School of Design (IN)
D.Y. Patil University (IN)
Amrita Vishwa Vidyapeetham (IN)

Publication Details

Journal: Combinatorial Chemistry & High Throughput Screening
Published: 2024-08-29
DOI: https://doi.org/10.2174/0113862073314430240730095615
Citations: 1
Primary Topic: Click Chemistry and Applications
Type: article
Field-Weighted Citation Impact: 0.25

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article

In Silico Molecular Docking and Molecular Dynamics Analysis of Antimicrobial Triazole Derivatives: Insights from Synthesis, Computational and In Vitro Studies

Monika Meghani, Naveen Kumawat, Bijo Mathew, Suraj N. Mali et al.

Aug 29, 2024

1 citations

Combinatorial Chemistry & High Throughput Screening

Click Chemistry and Applications

0.25

article

In Silico Molecular Docking and Molecular Dynamics Analysis of Antimicrobial Triazole Derivatives: Insights from Synthesis, Computational and In Vitro Studies

Monika Meghani, Naveen Kumawat, Bijo Mathew, Suraj N. Mali, Shikha Sharma, Nitin Kumar, Sunil Kumar

August 29, 2024article en

1 citations

Abstract

Notably, compound 7 demonstrated the highest binding score to the 5C1P protein, suggesting its potential as a lead molecule for the development of potent and safer antimicrobial agents. This research contributes valuable insights into addressing the escalating challenge of bacterial resistance.

Combinatorial Chemistry & High Throughput ScreeningVol. 28(14)

Birla Institute of Technology, Mesra (IN), Gurukul School of Design (IN), D.Y. Patil University (IN), Amrita Vishwa Vidyapeetham (IN)

Good health and well-being

Openalex Percentile: Top 49%

Click Chemistry and Applications

0.25

DOI Source OpenAlex

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