Computational Identification of Potential Inhibitors Targeting the YjfP Catalytic Triad in Klebsiella Pneumoniae Through Virtual Screening, Docking, and Molecular Dynamics Simulation
Findings show that kaempferol is a viable lead compound for cholera toxin suppression and serve as the foundation for future antitoxin medication development and experimental validation.
H. M. Zohaib, Madiha Saqlain, I. Tabassum et al.· Computational biology and ch...· 0 citations
Streptococcus pneumoniae is the major causative agent of community-acquired pneumonia, one of the main infectious diseases that causes inflammation in the alveoli and leads to significant morbidity and mortality across various age groups. Current treatments are challenged by multidrug-resistant strains of S. pneumoniae...
D. Anusha, S. Bhattacharjee, Gummuluri Meher Unnati et al.· Biophysica· 0 citations
Klebsiella pneumoniae (KPn) has emerged as a major global health concern due to increasing antimicrobial resistance (AMR). The development of new antimicrobial agents is essential to address multidrug-resistant and emerging hypervirulent strains associated with increased morbidity and mortality worldwide. In this study...
Mashego Jackson Mamosebo, Suheena Ayrga, S. Madhi et al.· Archives of Microbiology· 0 citations
The rapid spread of antimicrobial resistance, particularly among pathogens such as Staphylococcus aureus and Escherichia coli, highlights the urgent need for novel antibacterial agents with new mechanisms of action. The bacterial enoyl‐acyl carrier protein reductase (FabI), an essential enzyme in fatty acid biosynthesi...
P. T. T. F. Leite, Lucas H S Ocarino, G. Veríssimo et al.· ChemMedChem· 0 citations
In silico pharmacokinetics predict oral bioavailability, rule-of-five compliance, water solubility, and non-toxicity, highlighting Kuwanon D as a promising antibacterial lead.
S. E. Sharaf· Journal of Umm Al-Qura Unive...· 0 citations
Antimicrobial resistance remains difficult to control because many bacteria rely on DNA repair pathways that help them survive antibiotic stress. One of the key players in this response is the Mutation Frequency Decline protein (Mfd), a transcription repair coupling factor that supports mutagenesis and persistence. Tar...
Varshini Dayanand Kore, Abhishek Lakhera, Arpita Robel Khamle et al.· Journal of Biomolecular Stru...· 0 citations
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