The potential of plant-derived secondary metabolites as novel drug candidates against Klebsiella pneumoniae: Molecular docking and simulation investigation

SR Mahapatra, J Dey, TK Raj, V Kumar… - South African Journal of …, 2022 - Elsevier
Klebsiella pneumoniae is an important multidrug-resistant pathogen affecting humans and a
major source for hospital infections associated with high morbidity and mortality due to …

Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and …

J Dey, SR Mahapatra, TK Raj, N Misra, M Suar - Molecular Diversity, 2023 - Springer
Klebsiella pneumoniae, which is among the top three pathogens on WHO's priority list, is
one of the gram-negative bacteria that doctors and researchers around the world have …

Screening of potential lead molecules against prioritised targets of multi-drug-resistant-Acinetobacter baumannii – insights from molecular docking, molecular dynamic …

S Skariyachan, M Manjunath… - Journal of Biomolecular …, 2019 - Taylor & Francis
Acinetobacter baumannii, an opportunistic pathogen, has become multi-drug resistant
(MDR) to major classes of antibacterial and poses grave threat to public health. The current …

In-silico functional and structural annotation of hypothetical protein from Klebsiella pneumonia: A potential drug target

V Singh, P Dhankhar, V Dalal, S Tomar… - Journal of Molecular …, 2022 - Elsevier
Klebsiella pneumonia is known to cause several nosocomial infections in
immunocompromised patients. It has developed resistance against a broad range of …

In silico identification of putative drug targets in Klebsiella pneumonia MGH78578

JJ Georrge, V Umrania - 2011 - nopr.niscpr.res.in
The prolonged use of antibiotics over the years has transformed many organisms into
resistant to multiple drugs. Klebsiella pneumoniae MGH78578, a causative agent for …

The search for herbal antibiotics: An in-silico investigation of antibacterial phytochemicals

M Snow Setzer, J Sharifi-Rad, WN Setzer - Antibiotics, 2016 - mdpi.com
Recently, the emergence and spread of pathogenic bacterial resistance to many antibiotics
(multidrug-resistant strains) have been increasing throughout the world. This phenomenon …

Identification of bioactive natural compounds as efficient inhibitors against Mycobacterium tuberculosis protein-targets: a molecular docking and molecular dynamics …

SK Miryala, S Basu, A Naha, R Debroy… - Journal of Molecular …, 2021 - Elsevier
Mycobacterium tuberculosis (Mtb), the etiological agent of tuberculosis (TB), imposes a
significantly high morbidity threat to humans in both developed and developing nations. The …

Computational docking investigation of phytocompounds from bergamot essential oil against Serratia marcescens protease and FabI: Alternative pharmacological …

KB Lokhande, A Tiwari, S Gaikwad, S Kore… - … Biology and Chemistry, 2023 - Elsevier
The rapid development of multi-drug resistant (MDR) pathogens adds urgency to search for
novel and safe drugs having promising action on new and re-emerging infectious …

Integrated computer-aided drug design and biophysical simulation approaches to determine natural anti-bacterial compounds for Acinetobacter baumannii

RAH Almihyawi, ZT Naman, HMH Al-Hasani… - Scientific reports, 2022 - nature.com
Acinetobacter baumannii is a nosocomial bacterial pathogen and is responsible for a wide
range of diseases including pneumonia, necrotizing fasciitis, meningitis, and sepsis. The …

Predictive Binding Affinity of Plant-Derived Natural Products Towards the Protein Kinase G Enzyme of Mycobacterium tuberculosis (MtPknG)

RM Qasaymeh, D Rotondo, CB Oosthuizen, N Lall… - Plants, 2019 - mdpi.com
Tuberculosis (TB), caused by Mycobacterium tuberculosis, is a growing public health
concern worldwide, especially with the emerging challenge of drug resistance to the current …