Uncovering the bactericidal potential of extract and multi-targeting phytochemicals from Mirabilis longiflora L. leaves against multidrug-resistant Pseudomonas aeruginosa and Bacillus cereus

MEMLL:

Methanolic Extract of Mirabilis longiflora leaves

MDR:

Multidrug resistance

FT-IR:

Fourier-transform infrared spectroscopy

PPS:

Preliminary phytochemical screening

GC-MS:

Gas chromatography-mass spectrometry

MIC:

Minimum Inhibitory Concentration

MBC:

Minimum Bactericidal Concentration

OPLS3e:

Extending Force Field Coverage for Drug-Like Small Molecules

TIP3P:

Transferable intermolecular potential with 3 points

ADME:

Absorption, Distribution, Metabolism, and Excretion

SID:

Simulation Interaction Diagram

RMSD:

Root mean square deviation

RMSF:

Root mean square fluctuation

Rg:

Radius of gyration

SASA:

Solvent accessible surface area

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Author notes

1. Shahina Akhter, Md. Enamul Kabir Talukder, Md. Tarikul Islam have contributed equally to this work.

Authors and Affiliations

1. Department of Biochemistry and Biotechnology, University of Science and Technology Chittagong (USTC), Foy’s Lake, Chittagong, 4202, Bangladesh

   Shahina Akhter

2. Department of Life Sciences, School of Environment and Life Sciences, Independent University Bangladesh (IUB), Bashundhara R/A, Dhaka, 1212, Bangladesh

   Shahina Akhter

3. Molecular and Cellular Biology Laboratory, Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore, 7408, Bangladesh

   Md. Enamul Kabir Talukder, Md. Tarikul Islam, Md. Baha Uddin, Nafis Fuad Shahir, Nazia Islam Rafi, Sadia Israt, Rahat Alam & Md. Mashiar Rahman

4. Laboratory of Environmental and Clinical Microbiology, Department of Biotechnology and Genetic Engineering, Islamic University, Kushtia, 7003, Bangladesh

   Mohammad Abu Hena Mostofa Jamal

Contributions

Shahina Akhter: investigation, methodology, formal analysis, writing-original draft. Md. Enamul Kabir Talukder: investigation, data curation, methodology, formal analysis, writing-original draft, writing-review & editing. Md. Tarikul Islam: investigation, methodology, formal analysis, writing-original draft, writing-review & editing. Md. Baha Uddin: investigation, methodology, formal analysis. Nafis Fuad Shahir: investigation, methodology, formal analysis. Nazia Islam Rafi: investigation, methodology, formal analysis. Sadia Israt: investigation, methodology, formal analysis. Rahat Alam: resources, software, writing-review & editing. Mohamad Abu Hena Mostofa Jamal: resources, writing-review & editing. Md. Mashiar Rahman: conceptualization, resources, data curation, validation, supervision, funding acquisition, writing-review & editing.

Corresponding author

Correspondence to Md. Mashiar Rahman.

Competing interests

The authors declare no competing interests.

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