Computational modelling of potential Zn-sensitive non-β-lactam inhibitors of imipenemase-1 (IMP-1)

YO Ayipo, I Ahmad, W Alananzeh, A Lawal… - Journal of …, 2023 - Taylor & Francis
Antibiotic resistance (AR) remains one of the leading global health challenges, mostly
implicated in disease-related deaths. The Enterobacteriaceae-producing metallo-β …

Marine natural compounds as potential CBP bromodomain inhibitors for treating cancer: an in-silico approach using molecular docking, ADMET, molecular dynamics …

ML Ali, F Noushin, E Azme, MM Hasan, N Hoque… - In Silico …, 2024 - Springer
The cAMP-responsive element binding protein (CREB) binding protein (CBP), a
bromodomain-containing protein, engages with multiple transcription factors and enhances …

A computational odyssey: uncovering classical β-lactamase inhibitors in dry fruits

A Javid, M Ahmed - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
In the antibacterial arsenal, β-lactams have held a prominent position, but increasing
resistance due to unauthorized use and genetic factors requires new strategies. Combining …

Betaxolol as a Potent Inhibitor of NDM-1-Positive E. coli That Synergistically Enhances the Anti-Inflammatory Effect in Combination with Meropenem

J Sun, S Ren, Y Yang, X Li, X Zhang - International Journal of Molecular …, 2023 - mdpi.com
With significant human and economic losses, increasing bacterial resistance is a serious
global threat to human life. Due to their high efficacy, broad spectrum, and cost …

Novel partially reversible NDM-1 inhibitors based on the naturally occurring houttuynin

L Wang, Y Liang, P Luo, M Huang, Y Wan - Bioorganic Chemistry, 2024 - Elsevier
Discovering novel NDM-1 inhibitors is an urgent task for treatment of 'superbug'infectious
diseases. In this study, we found that naturally occurring houttuynin and its sulfonate …

Prediction of Phytochemicals for Their Potential to Inhibit New Delhi Metallo β-Lactamase (NDM-1)

Z Bibi, I Asghar, NM Ashraf, I Zeb, U Rashid, A Hamid… - Pharmaceuticals, 2023 - mdpi.com
The effectiveness of all antibiotics in the β-lactam group to cure bacterial infections has been
impaired by the introduction of the New Delhi Metallo-β-lactamase (NDM-1) enzyme …

Identification of potent inhibitors targeting Tribolium castaneum GSTe2 via structure-based screening and molecular dynamics simulation

KC Kim, W Zhang, P Chen, C Li, B Li - Journal of Biomolecular …, 2024 - Taylor & Francis
Red flour beetle, Tribolium castaneum, has a major negative impact during storage of
agricultural products and reveals the negative impacts on human health. Insect-specific …

Virtual screening of plant‐derived molecules against zinc‐dependent imipenemases in class B metallo‐β‐lactamases of Acinetobacter baumannii

M Gopikrishnan, GP Doss C - Biotechnology and Applied Biochemistry - Wiley Online Library
Abstract Metallo‐β‐lactamases (MBLs), enzymes of class B, employ zinc ions to degrade β‐
lactam antibiotics such as penicillins, cephalosporins, carbapenems, and cephamycins …

[PDF][PDF] Estimation of Bond Free Energy with gmx_MMPBSA in NDM-1 Complexes

E Valencia, M Galvis - Open Journal of Chemistry, 2024 - chemisgroup.us
Estimation of Bond Free Energy with gmx_MMPBSA in NDM-1 Complexes Page 1 067
Citation: Valencia E, Galvis M. Estimation of Bond Free Energy with gmx_MMPBSA in NDM-1 …

Extraction of Phenolic Compounds from Some Ayurvedic Botanicals (Nigella sativa, Andrographis paniculata, and Phyllanthus amarus) and Evaluation of Their …

YO Ayipo, UM Badeggi, AT Ajiboye… - … in Biotechnology and … - taylorfrancis.com
Bacterial and viral infections have posed serious threats to human health since time
immemorial, occasionally causing pandemics, yet with therapeutic challenges due to …