Exploring Klebsiella pneumoniae capsule polysaccharide proteins to design multiepitope subunit vaccine to fight against pneumonia

J Dey, SR Mahapatra, S Lata, S Patro… - Expert Review of …, 2022 - Taylor & Francis
Background Klebsiella pneumoniae is an emerging human pathogen causing neonatal lung
disease, catheter-associated infections, and nosocomial outbreaks with high fatality rates …

Proteome-wide screening for designing a multi-epitope vaccine against emerging pathogen Elizabethkingia anophelis using immunoinformatic approaches

Z Nain, F Abdulla, MM Rahman, MM Karim… - Journal of …, 2020 - Taylor & Francis
Elizabethkingia anophelis is an emerging human pathogen causing neonatal meningitis,
catheter-associated infections and nosocomial outbreaks with high mortality rates. Besides …

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 …

Antidiabetic potential of novel 1, 3, 5-trisubstituted-2-thioxoimidazloidin-4-one analogues: Insights into α-glucosidase, α-amylase, and antioxidant activities

SM Khirallah, HMM Ramadan, HAA Aladl, NO Ayaz… - Pharmaceuticals, 2022 - mdpi.com
As the ninth leading cause of death globally, diabetes mellitus (DM) is considered to be the
worst chronic metabolic disease requiring an enormous need for healthcare with over 578 …

Molecular Structure-Based Screening of the Constituents of Calotropis procera Identifies Potential Inhibitors of Diabetes Mellitus Target Alpha Glucosidase

CA Adinortey, GB Kwarko, R Koranteng… - Current Issues in …, 2022 - mdpi.com
Diabetes mellitus is a disorder characterized by higher levels of blood glucose due to
impaired insulin mechanisms. Alpha glucosidase is a critical drug target implicated in the …

Molecular dynamics simulation studies of novel β-lactamase inhibitor

FU Haq, A Abro, S Raza, KR Liedl, SS Azam - Journal of Molecular …, 2017 - Elsevier
Abstract New Delhi Metallo-β-Lactamase-1 (NDM-1) has drawn great attention due to its
diverse antibiotic resistant activity. It can hydrolyze almost all clinically available β-lactam …

Exploring the potent inhibitors and binding modes of phospholipase A2 through in silico investigation

S Mahmud, MR Parves, YM Riza… - Journal of …, 2020 - Taylor & Francis
Snake venom of Naja naja comprises of several types of enzymes, and among them, water-
soluble proteolytic enzyme, phospholipase A2 (PLA2), is noteworthy for its numerous …

Structural chemistry and molecular-level interactome reveals histidine kinase EvgS to subvert both antimicrobial resistance and virulence in Shigella flexneri 2a str …

A Naha, S Ramaiah - 3 Biotech, 2022 - Springer
Multi-drug resistant (MDR) Shigella flexneri 2a, one of the leading bacterial agents of
diarrhoeal mortality, has posed challenges in treatment strategies. The present study was …

Computational discovery of plant-based inhibitors against human carbonic anhydrase IX and molecular dynamics simulation

S Mahmud, E Rahman, Z Nain, M Billah… - Journal of …, 2021 - Taylor & Francis
Carbonic anhydrase IX (hCAIX) is a membrane-spanning metalloenzyme, encoded by CA9
gene, which can lead to various carcinomas if upregulated. Due to its overexpression in …

Phytocompound identification of aqueous Zingiber officinale rhizome (ZOME) extract reveals antiproliferative and reactive oxygen species mediated apoptotic induction within cervical …

M Hasan Mujahid, TK Upadhyay… - Journal of …, 2024 - Taylor & Francis
The prevalence of cervical cancer in women is in the fourth position among various other
types of cancer globally. Many established therapies, including surgery, chemotherapy, and …