Synthesis of Bioactive Complex Small Molecule–Ciprofloxacin Conjugates and Evaluation of Their Antibacterial Activity

2020 ◽  
Vol 22 (9) ◽  
pp. 440-445
Author(s):  
Rahul Upadhyay ◽  
Rahul Kumar ◽  
Manoj Jangra ◽  
Rohit Rana ◽  
Onkar S. Nayal ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Small Molecule

Antibacterial activity of cationic polymers: side-chain or main-chain type?

2018 ◽  
Vol 9 (37) ◽  
pp. 4611-4616 ◽  
Author(s):  
Jiangna Guo ◽  
Jing Qin ◽  
Yongyuan Ren ◽  
Bin Wang ◽  
Hengqing Cui ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Small Molecule ◽  
Quaternary Ammonium ◽  
Main Chain ◽  
Side Chain ◽  
Cationic Polymers ◽  
Cationic Compounds ◽  
Chain Type

Imidazolium (Im), quaternary ammonium (Qa), and 1,4-diazabicyclo[2.2.2]octane-1,4-diium (DABCO-diium) cation-based small molecule cationic compounds and their corresponding side-chain/main-chain cationic polymers were synthesized.

scholarly journals Physicochemical and Structural Parameters Contributing to the Antibacterial Activity and Efflux Susceptibility of Small Molecule Inhibitors of Escherichia coli

2021 ◽  
Author(s):  
Sara S. El Zahed ◽  
Shawn French ◽  
Maya A. Farha ◽  
Garima Kumar ◽  
Eric D. Brown
Keyword(s):  
Machine Learning ◽  
Escherichia Coli ◽  
Antibacterial Activity ◽  
Small Molecules ◽  
Small Molecule ◽  
In Silico ◽  
Molecular Descriptors ◽  
Structural Parameters ◽  
Side Chain ◽  
Gram Negative

Discovering new Gram-negative antibiotics has been a challenge for decades. This has been largely attributed to a limited understanding of the molecular descriptors governing Gram-negative permeation and efflux evasion. Herein, we address the contribution of efflux using a novel approach that applies multivariate analysis, machine learning, and structure-based clustering to some 4,500 actives from a small molecule screen in efflux-compromised Escherichia coli. We employed principal-component analysis and trained two decision tree-based machine learning models to investigate descriptors contributing to the antibacterial activity and efflux susceptibility of these actives. This approach revealed that the Gram-negative activity of hydrophobic and planar small molecules with low molecular stability is limited to efflux-compromised E. coli. Further, molecules with reduced branching and compactness showed increased susceptibility to efflux. Given these distinct properties that govern efflux, we developed the first machine learning model, called Susceptibility to Efflux Random Forest (SERF), as a tool to analyze the molecular descriptors of small molecules and predict those that could be susceptible to efflux pumps in silico. Here, SERF demonstrated high accuracy in identifying such molecules. Further, we clustered all 4,500 actives based on their core structures and identified distinct clusters highlighting side chain moieties that cause marked changes in efflux susceptibility. In all, our work reveals a role for physicochemical and structural parameters in governing efflux, presents a machine learning tool for rapid in silico analysis of efflux susceptibility, and provides a proof of principle for the potential of exploiting side chain modification to design novel antimicrobials evading efflux pumps.

Antioxidant and Antibacterial Activity of Sulfonamides Derived from Carvacrol: A Structure-Activity Relationship Study

2020 ◽  
Vol 20 (3) ◽  
pp. 173-181 ◽  
Author(s):  
Aldo S. de Oliveira ◽  
Luiz F. S. de Souza ◽  
Ricardo J. Nunes ◽  
Susana Johann ◽  
David L. Palomino-Salcedo ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Biological Activity ◽  
Molecular Docking ◽  
Small Molecule ◽  
Bacterial Resistance ◽  
Mechanisms Of Action ◽  
New Drugs ◽  
Structure Activity ◽  
Relationship Study ◽  
Antibacterial Potential

Background: Bacterial resistance to antibiotics is a growing problem in all countries and has been discussed worldwide. In this sense, the development of new drugs with antibiotic properties is highly desirable in the context of medicinal chemistry. Methodology: In this paper we investigate the antioxidant and antibacterial potential of sulfonamides derived from carvacrol, a small molecule with drug-like properties. Most sulfonamides had antioxidant and antibacterial potential, especially compound S-6, derived from beta-naphthylamine. Result: To understand the possible mechanisms of action involved in biological activity, the experimental results were compared with molecular docking data. Conclusion: This research allows appropriate discussion on the identified structure activity relationships.

Mechanically Robust, Self-Healing, Polymer Blends and Polymer/Small Molecule Blend Materials with High Antibacterial Activity

2020 ◽  
Vol 12 (24) ◽  
pp. 26966-26972 ◽  
Author(s):  
Juan Du ◽  
Yangyang Li ◽  
Jiuchun Wang ◽  
Caiyun Wang ◽  
Danqing Liu ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Polymer Blends ◽  
Small Molecule ◽  
Self Healing ◽  
High Antibacterial Activity

scholarly journals Small Molecule Lactoferrin with an Inflammatory Effect But No Apparent Antibacterial Activity in Mastitic Mammary Gland Secretion

2005 ◽  
Vol 67 (7) ◽  
pp. 667-677 ◽  
Author(s):  
Ken-ichi KOMINE ◽  
Yumiko KOMINE ◽  
Toshinobu KUROISHI ◽  
Jin KOBAYASHI ◽  
Yoshiaki OBARA ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Mammary Gland ◽  
Small Molecule ◽  
Gland Secretion ◽  
Inflammatory Effect

scholarly journals Antibacterial Activity of and Resistance to Small Molecule Inhibitors of the ClpP Peptidase

2013 ◽  
Vol 8 (12) ◽  
pp. 2669-2677 ◽  
Author(s):  
Corey L. Compton ◽  
Karl R. Schmitz ◽  
Robert T. Sauer ◽  
Jason K. Sello
Keyword(s):  
Antibacterial Activity ◽  
Small Molecule ◽  
Small Molecule Inhibitors

All-small-molecule dynamic covalent gels with antibacterial activity by boronate-tannic acid gelation

2020 ◽  
Vol 31 (3) ◽  
pp. 869-874 ◽  
Author(s):  
Xuejing Cheng ◽  
Mengyu Li ◽  
Hui Wang ◽  
Yiyun Cheng
Keyword(s):  
Antibacterial Activity ◽  
Tannic Acid ◽  
Small Molecule ◽  
Acid Gelation

scholarly journals Proliferation of Bifidobacterium L80 under different proportions of milk protein hydrolysate

2021 ◽  
Vol 20 (1) ◽  
Author(s):  
Bing Wang ◽  
Yang Yang ◽  
Xin Bian ◽  
Hua-nan Guan ◽  
Lin-lin Liu ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Organic Acids ◽  
Infant Formula ◽  
Small Molecule ◽  
Milk Protein ◽  
Protein Hydrolysate ◽  
Titratable Acidity ◽  
E Coli ◽  
Healthy Growth ◽  
Infant’S Growth

AbstractThe intestinal microecological environment is critical to an infant's growth. For those infants consuming milk power, it is very important to improve the intestinal microecological environment to promote the healthy growth of infants. In this paper, Milk protein hydrolysate (MPH), consisting of different proportions of proteins and small molecule peptides (5:5, 4:6, 3:7, 2:8, 1:9) were added to infant formula powder (IFP). The effects of MFP-enriched IFP addition on proliferation and metabolism of Bifidobacterium L80 were studied. Compared with MPH-free IFP, MFP-enriched IFP with 1:9 of proteins to small molecule peptides significantly enhanced the proliferation of Bifidobacterium L80, resulting in higher cell density, greater viable counts and higher titratable acidity. MFP-enriched IFP increased the content of seven organic acids and H2O2 in the system, and improved the antibacterial activity to E. coli BL21. This study suggested that MPH could be an effective addition to infant formula powder to promote the growth of Bifidobacterium, so to improve the intestinal health of infants.

The development of small-molecule modulators for ClpP protease activity

2017 ◽  
Vol 13 (1) ◽  
pp. 23-31 ◽  
Author(s):  
Fei Ye ◽  
Jiahui Li ◽  
Cai-Guang Yang
Keyword(s):  
Antibacterial Activity ◽  
Small Molecule ◽  
Protease Activity ◽  
Small Molecule Modulators

Deregulating ClpP activity either through inhibition or overactivation could lead to antibacterial activity.

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