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Flavonoid from Carica papaya inhibits NS2B-NS3 protease and prevents Dengue 2 viral assembly
Dengue virus belongs to the virus family Flaviviridae. Dengue hemorrhagic disease caused by dengue virus is a public health problem worldwide. The viral non structural 2B and 3 (NS2B-NS3) proteaseExpand
Cation–π Interactions in β-Lactamases: The Role in Structural Stability
Abstractβ-lactam group of antibiotics is the most widely used therapeutic molecules for treating bacterial infections. The main mode of bacterial resistance to β-lactams is by β-lactamases. In theExpand
In silico study on Penicillin derivatives and Cephalosporins for upper respiratory tract bacterial pathogens
Upper respiratory tract infection (URTI) is an acute infection which involves the upper respiratory tract: nose, sinuses, tonsils and pharynx. URT infections are caused mainly by pathogenic bacteriaExpand
Arginine and Lysine interactions with π residues in metalloproteins
Metalloproteins have many different functions in cells such as enzymes; signal transduction, transport and storage proteins. About one third of all proteins require metals to carry out theirExpand
Detection and Confirmation of Alkaloids in Leaves of Justicia adhatoda and Bioinformatics Approach to Elicit Its Anti-tuberculosis Activity
The extraction and determination of alkaloids was performed and confirmed by phytochemical analysis. Six different quinazoline alkaloids (vasicoline, vasicolinone, vasicinone, vasicine, adhatodineExpand
Molecular dynamics and molecular docking studies on E166A point mutant, R274N/R276N double mutant, and E166A/R274N/R276N triple mutant forms of class A β-lactamases
Bacterial resistance to β-lactams antibiotics is a serious threat to human health. The most common cause of resistance to the β-lactams is the production of β-lactamase that inactivates β-lactams.Expand
Computational analysis of N-H⋯π interactions and its impact on the structural stability of β-lactamases
TLDR
We explore the functional importance of residues participating in N-H⋯π hydrogen bonds in maintaining the conformational stability of β-lactamases. Expand
A Molecular Docking and Dynamics Study to Screen Potent Anti‐Staphylococcal Compounds Against Ceftaroline Resistant MRSA
World Health Organization reports that methicillin‐resistant Staphylococcus aureus (MRSA) is the origin of higher proportion of hospital acquired infections. In order to combat the effect of MRSAExpand
Investigations on the role of CH...O interactions and its impact on stability and specificity of penicillin binding proteins
TLDR
In the present study the influence of CH…O interactions in the conformational stability of penicillin binding proteins were analyzed in both Gram positive and Gram negative bacteria. Expand
Influence of C-H...O interactions on the structural stability of β-lactamases
Abstractβ-Lactamases produced by pathogenic bacteria cleave β-lactam antibiotics and render them ineffective. Understanding the principles that govern the structural stability of β-lactamasesExpand
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