AIMC Topic: Gram-Negative Bacteria

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Design, synthesis, antibacterial evaluation and molecular docking studies of some new quinoxaline derivatives targeting dihyropteroate synthase enzyme.

Bioorganic chemistry Dec 5, 2017
Development of new antimicrobial agents is a good solution to overcome drug-resistance problems. From this perspective, new quinoxaline derivatives bearing various bioactive heterocyclic moieties (thiadiazoles, oxadiazoles, pyrazoles and thiazoles) w...
Dihydropteroate Synthase Structure-Activity Relationship Quinoxalines Levofloxacin Molecular Structure Hydrophobic and Hydrophilic Interactions Drug Design Catalytic Domain Microbial Sensitivity Tests Gram-Positive Bacteria Gram-Negative Bacteria Protein Binding Yersinia pestis Hydrogen Bonding Anti-Bacterial Agents Molecular Docking Simulation
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Synthesis and antimicrobial studies of novel derivatives of 4-(4-formyl-3-phenyl-1H-pyrazol-1-yl)benzoic acid as potent anti-Acinetobacter baumannii agents.

Bioorganic & medicinal chemistry letters Dec 29, 2016
Microbial resistance to antibiotics is a global concern. The World Health Organization (WHO) has identified antimicrobial resistance as one the three greatest threats for human beings in the 21st century. Without urgent and coordinated action, the wo...
Anti-Infective Agents Molecular Docking Simulation Microbial Sensitivity Tests Drug Resistance, Multiple, Bacterial Gram-Negative Bacteria Structure-Activity Relationship Acinetobacter baumannii Gram-Positive Bacteria Benzoic Acid Catalytic Domain Binding Sites Pyrazoles
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Sulfonamide-based non-alkyne LpxC inhibitors as Gram-negative antibacterial agents.

Bioorganic & medicinal chemistry letters Dec 24, 2016
We attempted to optimize sulfonamide-based non-alkyne LpxC inhibitors by focusing on improvements in enzyme inhibitory and antibacterial activity. It was discovered that inhibitors possessing 2-aryl benzofuran as a hydrophobe exhibited good activity....
Structure-Activity Relationship Amidohydrolases Anti-Bacterial Agents Drug Resistance, Bacterial Sulfonamides Gram-Negative Bacteria Microbial Sensitivity Tests
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Feature Fusion Based SVM Classifier for Protein Subcellular Localization Prediction.

Journal of integrative bioinformatics Dec 18, 2016
For the importance of protein subcellular localization in different branches of life science and drug discovery, researchers have focused their attentions on protein subcellular localization prediction. Effective representation of features from prote...
Models, Biological Gram-Negative Bacteria Support Vector Machine Bacterial Proteins
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Synthesis, identification and in vitro biological evaluation of some novel quinoline incorporated 1,3-thiazinan-4-one derivatives.

Bioorganic & medicinal chemistry letters Jun 16, 2016
The present study describes the synthesis of two new series of 3-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazinan-3-yl)-8-(trifluoromethyl)quinoline-2-carboxamide derivatives (4a-j) and 3-((7-chloroquinolin-4-ylamino)methyl)-2-phenyl-1,3-thiazinan-4-one deriv...
Gram-Negative Bacteria Quinolines Magnetic Resonance Spectroscopy Clostridium tetani Thiazines Antitubercular Agents Antimalarials Mycobacterium tuberculosis Structure-Activity Relationship Plasmodium falciparum Anti-Bacterial Agents Microbial Sensitivity Tests Spectroscopy, Fourier Transform Infrared
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Predict Gram-Positive and Gram-Negative Subcellular Localization via Incorporating Evolutionary Information and Physicochemical Features Into Chou's General PseAAC.

IEEE transactions on nanobioscience Nov 12, 2015
In this study, we used structural and evolutionary based features to represent the sequences of gram-positive and gram-negative subcellular localizations. To do this, we proposed a normalization method to construct a normalize Position Specific Scori...
Bayes Theorem Gram-Negative Bacteria Gram-Positive Bacteria Support Vector Machine Models, Statistical Intracellular Space
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Multi-location gram-positive and gram-negative bacterial protein subcellular localization using gene ontology and multi-label classifier ensemble.

BMC bioinformatics Aug 25, 2015
BACKGROUND: It has become a very important and full of challenge task to predict bacterial protein subcellular locations using computational methods. Although there exist a lot of prediction methods for bacterial proteins, the majority of these metho...
Gram-Positive Bacteria Protein Transport Gene Ontology Bacterial Proteins Gram-Negative Bacteria Intracellular Space
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Designing antimicrobial peptides using deep learning and molecular dynamic simulations.

Briefings in bioinformatics Mar 19, 2023
With the emergence of multidrug-resistant bacteria, antimicrobial peptides (AMPs) offer promising options for replacing traditional antibiotics to treat bacterial infections, but discovering and designing AMPs using traditional methods is a time-cons...
Gram-Negative Bacteria Gram-Positive Bacteria Anti-Bacterial Agents Antimicrobial Peptides Deep Learning Antimicrobial Cationic Peptides Molecular Dynamics Simulation
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Predicting Type III Effector Proteins Using the Effectidor Web Server.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2022
Various Gram-negative bacteria use secretion systems to secrete effector proteins that manipulate host biochemical pathways to their benefit. We and others have previously developed machine-learning algorithms to predict novel effectors. Specifically...
Bacterial Proteins Gram-Negative Bacteria Machine Learning Algorithms
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Deep-ABPpred: identifying antibacterial peptides in protein sequences using bidirectional LSTM with word2vec.

Briefings in bioinformatics Sep 2, 2021
The overuse of antibiotics has led to emergence of antimicrobial resistance, and as a result, antibacterial peptides (ABPs) are receiving significant attention as an alternative. Identification of effective ABPs in lab from natural sources is a cost-...
Computational Biology Amino Acid Sequence Gram-Negative Bacteria Gram-Positive Bacteria Viral Tail Proteins Anti-Bacterial Agents Drug Resistance, Bacterial Streptococcus Phages Peptides Deep Learning
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