Integrating molecular docking and molecular dynamics simulation studies on the affinity and interactions of piperine with β-lactamase class A enzymes

Bayan, Abdul Musawer; Mosawi, Sayed Hussain; Fani, Najmeh; Behrad, Mohammad Sayed; Mehrpoor, Ahmad Jamshid; Noori, Muhammad Younis; Shirzadi, Rafiullah; Popalzai, Ahmad Siar; Amirkhezi, Fahim

doi:10.1016/j.molstruc.2023.136151

Journal of Molecular Structure

2023

DOI: 10.1016/j.molstruc.2023.136151

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Integrating molecular docking and molecular dynamics simulation studies on the affinity and interactions of piperine with β-lactamase class A enzymes

Abdul Musawer Bayan,

Sayed Hussain Mosawi,

Najmeh Fani

et al.

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Cited by 5 publications

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Integrating molecular docking and molecular dynamics simulation studies on the affinity and interactions of piperine with β-lactamase class A enzymes

Cited by 5 publications

References 28 publications

Designing, cloning and simulation studies of cancer/testis antigens based multi-epitope vaccine candidates against cutaneous melanoma: An immunoinformatics approach

Designing, cloning and simulation studies of cancer/testis antigens based multi-epitope vaccine candidates against cutaneous melanoma: An immunoinformatics approach

Isoliquiritigenin retards starch digestion by increasing resistant starch content and inhibiting the activities of α-amylase and α-glucosidase

Drug repurposing for diabetes mellitus: In silico and in vitro investigation of DrugBank database for α-glucosidase inhibitors

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