Investigation of plant metabolites as potential inhibitors of Acinetobacter baumannii: An In-Silico approach DOI Creative Commons
Jamil Ahmed,

Nabioun Haque,

Saklayeen Mahfuz

и другие.

Informatics in Medicine Unlocked, Год журнала: 2023, Номер 41, С. 101343 - 101343

Опубликована: Янв. 1, 2023

The gram-negative bacteria Acinetobacter baumannii is responsible for a broad spectrum of dangerous nosocomial infections. easily transmitted into the body via mechanical ventilators, open wounds, and intravascular catheters. Bloodstream infections ventilator-associated pneumonia caused by A. have greatest mortality rates. Due to its multidrug resistance (MDR), drug resistance, pan-drug phenotypes, now recognized as particularly challenging pathogen control. In order develop novel therapeutics existing condition, an in-silico approach was used. Based on review literature, five target proteins including OmpA (Peptidoglycan-binding domain), CarO, DcaP, OmpW, PBP were identified be vital pathogen's survival, infection host, resistance. A total 20 potential plant metabolites with antibacterial properties docked against these proteins. Among them, Corilagin, -(+)-Lyoniresinol-3 alpha-O-beta-d-glucopyranoside, Epsilon-Viniferin, Epigallocatechin gallate (EGCG) showed superior binding energy compared reference carbapenem. Corilagin alpha-O-beta-d-glucopyranoside best DcaP protein having docking score about −261.74, −238.19 respectively. Those two protein-ligand complexes assessed MS simulation where average RMSD value 3.5 A° Dcap-Corilagin 3.0 Dcap-(+)-Lyoniresinol-3 indicated their excellent stability. In-silico ADME analysis all four had good estimated solubility (ESOL) between −3.56 −6.32, Log P range 1.87–2.71 they responded negatively in Blood-Brain Barrier, CYP inhibition. Toxicity study that expected new drugs, are completely non-carcinogenic, non-toxic, safe use therapeutic treatments baumannii. Therefore, predicted could used medication As result promising outcomes from our present study, we strongly recommend more vivo experimental confirmation.

Язык: Английский

Co-regulation of biofilm formation and antimicrobial resistance in Acinetobacter baumannii: from mechanisms to therapeutic strategies DOI Creative Commons
Sérgio G. Mendes, Sofia I. Combo, Thibault Allain

и другие.

European Journal of Clinical Microbiology & Infectious Diseases, Год журнала: 2023, Номер 42(12), С. 1405 - 1423

Опубликована: Окт. 28, 2023

Abstract In recent years, multidrug-resistant Acinetobacter baumannii has emerged globally as a major threat to the healthcare system. It is now listed by World Health Organization priority one for need of new therapeutic agents. A . capacity develop robust biofilms on biotic and abiotic surfaces. Biofilm development allows these bacteria resist various environmental stressors, including antibiotics lack nutrients or water, which in turn persistence hospital environment further outbreaks. Investigation into alternatives that will act both biofilm formation antimicrobial resistance (AMR) sorely needed. The aim present review critically discuss mechanisms AMR may be co-regulated an attempt shed light paths towards novel opportunities. After discussing clinical importance , this critical highlights biofilm-formation genes associated with co-regulation AMR. Particularly worthy consideration are regulating quorum sensing system AbaI/AbaR, AbOmpA (OmpA protein), Bap (biofilm-associated two-component regulatory BfmRS, PER-1 β-lactamase, EpsA, PTK. Finally, discusses ongoing experimental strategies fight infections, namely vaccine development, interference, nanoparticles, metal ions, natural products, peptides, phage therapy. better understanding co-regulate help identify targets, combined approaches confer synergistic benefits effective safer treatments.

Язык: Английский

Процитировано

23
A novel mRNA multi-epitope vaccine of Acinetobacter baumannii based on multi-target protein design in immunoinformatic approach DOI Creative Commons

Yizhong Xu,

Fei Zhu, Ziyou Zhou

и другие.

BMC Genomics, Год журнала: 2024, Номер 25(1)

Опубликована: Авг. 19, 2024

Acinetobacter baumannii is a gram-negative bacillus prevalent in nature, capable of thriving under various environmental conditions. As an opportunistic pathogen, it frequently causes nosocomial infections such as urinary tract infections, bacteremia, and pneumonia, contributing to increased morbidity mortality clinical settings. Consequently, developing novel vaccines against utmost importance. In our study, we identified 10 highly conserved antigenic proteins from the NCBI UniProt databases for epitope mapping. We subsequently screened selected 8 CTL, HTL, LBL epitopes, integrating them into three distinct constructed with adjuvants. Following comprehensive evaluations immunological physicochemical parameters, conducted molecular docking dynamics simulations assess efficacy stability these vaccines. Our findings indicate that all multi-epitope mRNA designed are promising; however, further animal studies required confirm their reliability effectiveness.

Язык: Английский

Процитировано

7
A Semisynthetic Oligomannuronic Acid-Based Glycoconjugate Vaccine against Pseudomonas aeruginosa DOI Creative Commons
Yiyue Zhang,

Xiaotong Wang,

Youling Liang

и другие.

ACS Central Science, Год журнала: 2024, Номер 10(8), С. 1515 - 1523

Опубликована: Июль 10, 2024

is one of the leading causes nosocomial infections and has become increasingly resistant to multiple antibiotics. However, development novel classes antibacterial agents against multidrug-resistant

Язык: Английский

Процитировано

5
Design, development, and assessment of a novel multi-peptide vaccine targeting PspC, PsaA, and PhtD proteins of Streptococcus pneumoniae DOI

Zohreh Bahadori,

Mona Shafaghi,

jahangir sabzevari

и другие.

International Journal of Biological Macromolecules, Год журнала: 2023, Номер 258, С. 128924 - 128924

Опубликована: Дек. 22, 2023

Язык: Английский

Процитировано

11
New Progress of Research on Vaccines against <i>Acinetobacter baumannii</i> DOI

倩蓉 薛

Advances in Clinical Medicine, Год журнала: 2025, Номер 15(05), С. 267 - 275

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
A new candidate epitope-based vaccine against PspA PhtD of Streptococcus pneumoniae: a computational experimental approach DOI Creative Commons

Mona Shafaghi,

Zohreh Bahadori,

Seyed Mahmoud Barzi

и другие.

Frontiers in Cellular and Infection Microbiology, Год журнала: 2023, Номер 13

Опубликована: Ноя. 15, 2023

Introduction Pneumococcus is an important respiratory pathogen that associated with high rates of death in newborn children and the elderly. Given disadvantages current polysaccharide-based vaccines, most promising alternative for developing improved vaccines may be to use protein antigens different roles pneumococcus virulence. PspA PhtD, highly immunogenic surface proteins expressed by almost all pneumococcal strains, are capable eliciting protective immunity against lethal infections. Methods In this study using immunoinformatics approaches, we constructed one fusion construct (called PAD) fusing immunodominant regions from families 1 &amp; 2 (PA) PhtD (PD). The objective project was test immunogenicity PAD compare its activity S. pneumoniae infection PA or PD alone a combination PD. prediction physicochemical properties, antigenicity, allergenicity, toxicity, 3D-structure constructs, as well molecular docking HLA receptor immune simulation were performed computational tools. Finally, mice immunized serum levels antibodies/cytokines functionality antibodies vitro evaluated after immunization. survival decrease bacterial loads blood/spleen examined following challenge. Results analyses indicated proposed constructs could antigenic, non-allergenic, non-toxic, soluble able elicit robust responses. results actual animal experiments revealed candidate induce produce cytokines. complement-mediated bactericidal confirmed provided favorable general, experimental verified studies. Conclusion For first time report presents novel peptide-based vaccine candidates consisting antigens. obtained findings formulation relatively more efficient than individual formulations. propose used serotype-independent effective partner conjugate polysaccharide vaccine.

Язык: Английский

Процитировано

5
Enhanced immunoprotection against Acinetobacter baumannii infection: Synergistic effects of Bap and BauA in a murine model DOI
Mobina Mansouri, Masoomeh Sadeghpoor, Abolfazl Jahangiri

и другие.

Immunology Letters, Год журнала: 2023, Номер 262, С. 18 - 26

Опубликована: Авг. 29, 2023

Язык: Английский

Процитировано

2
Investigation of plant metabolites as potential inhibitors of Acinetobacter baumannii: An In-Silico approach DOI Creative Commons
Jamil Ahmed,

Nabioun Haque,

Saklayeen Mahfuz

и другие.

Informatics in Medicine Unlocked, Год журнала: 2023, Номер 41, С. 101343 - 101343

Опубликована: Янв. 1, 2023

The gram-negative bacteria Acinetobacter baumannii is responsible for a broad spectrum of dangerous nosocomial infections. easily transmitted into the body via mechanical ventilators, open wounds, and intravascular catheters. Bloodstream infections ventilator-associated pneumonia caused by A. have greatest mortality rates. Due to its multidrug resistance (MDR), drug resistance, pan-drug phenotypes, now recognized as particularly challenging pathogen control. In order develop novel therapeutics existing condition, an in-silico approach was used. Based on review literature, five target proteins including OmpA (Peptidoglycan-binding domain), CarO, DcaP, OmpW, PBP were identified be vital pathogen's survival, infection host, resistance. A total 20 potential plant metabolites with antibacterial properties docked against these proteins. Among them, Corilagin, -(+)-Lyoniresinol-3 alpha-O-beta-d-glucopyranoside, Epsilon-Viniferin, Epigallocatechin gallate (EGCG) showed superior binding energy compared reference carbapenem. Corilagin alpha-O-beta-d-glucopyranoside best DcaP protein having docking score about −261.74, −238.19 respectively. Those two protein-ligand complexes assessed MS simulation where average RMSD value 3.5 A° Dcap-Corilagin 3.0 Dcap-(+)-Lyoniresinol-3 indicated their excellent stability. In-silico ADME analysis all four had good estimated solubility (ESOL) between −3.56 −6.32, Log P range 1.87–2.71 they responded negatively in Blood-Brain Barrier, CYP inhibition. Toxicity study that expected new drugs, are completely non-carcinogenic, non-toxic, safe use therapeutic treatments baumannii. Therefore, predicted could used medication As result promising outcomes from our present study, we strongly recommend more vivo experimental confirmation.

Язык: Английский

Процитировано

1