Non-classical transpeptidases yield insight into new antibacterials

P Kumar, A Kaushik, EP Lloyd, SG Li, R Mattoo… - Nature chemical …, 2017 - nature.com
Bacterial survival requires an intact peptidoglycan layer, a three-dimensional exoskeleton
that encapsulates the cytoplasmic membrane. Historically, the final steps of peptidoglycan …

Structure and function of L, D-and D, D-transpeptidase family enzymes from Mycobacterium tuberculosis

GF Tolufashe, VT Sabe, CU Ibeji… - Current medicinal …, 2020 - ingentaconnect.com
Peptidoglycan, the exoskeleton of bacterial cell and an essential barrier that protects the
cell, is synthesized by a pathway where the final steps are catalysed by transpeptidases …

Differential flap dynamics in l, d-transpeptidase2 from mycobacterium tuberculosis revealed by molecular dynamics

Z Fakhar, T Govender, GEM Maguire… - Molecular …, 2017 - pubs.rsc.org
Despite the advances in tuberculosis treatment, TB is still one the most deadly infectious
diseases and remains a major global health quandary. Mycobacterium tuberculosis (Mtb) is …

Role of UDP‐N‐acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations

MVD de Oliveira, KS da Costa, JRA Silva… - Protein …, 2024 - Wiley Online Library
The peptidoglycan biosynthesis pathway plays a vital role in bacterial cells, and facilitates
peptidoglycan layer formation, a fundamental structural component of the bacterial cell wall …

Identification of potent L,D-transpeptidase 5 inhibitors for Mycobacterium tuberculosis as potential anti-TB leads: virtual screening and molecular dynamics …

VT Sabe, GF Tolufashe, CU Ibeji, SB Maseko… - Journal of Molecular …, 2019 - Springer
Virtual screening is a useful in silico approach to identify potential leads against various
targets. It is known that carbapenems (doripenem and faropenem) do not show any …

Structure and dynamics of the multi-domain resuscitation promoting factor RpfB from Mycobacterium tuberculosis

A Ruggiero, F Squeglia, M Romano… - Journal of …, 2017 - Taylor & Francis
RpfB is multidomain protein that is crucial for Mycobacterium tuberculosis resuscitation from
dormancy. This protein cleaves cell wall peptidoglycan, an essential bacterial cell wall …

Competition between phenothiazines and BH3 peptide for the binding site of the antiapoptotic BCL-2 protein

AL Do Carmo, F Bettanin, M Oliveira Almeida… - Frontiers in …, 2020 - frontiersin.org
The study of proteins and mechanisms involved in the apoptosis and new knowledge about
cancer's biology are essential for planning new drugs. Tumor cells develop several …

Inhibition mechanism of L, D-transpeptidase 5 in presence of the β-lactams using ONIOM method

GF Tolufashe, VT Sabe, CU Ibeji, MM Lawal… - Journal of Molecular …, 2019 - Elsevier
Tuberculosis (TB) is one of the world's deadliest diseases resulting from infection by the
bacterium, Mycobacterium tuberculosis (M. tb). The L, D-transpeptidase enzymes catalyze …

The 1-β-methyl group confers a lower affinity of l, d-transpeptidase LdtMt2 for ertapenem than for imipenem

F Zhao, YJ Hou, Y Zhang, DC Wang, DF Li - Biochemical and biophysical …, 2019 - Elsevier
L, D-transpeptidases, widely distributed in bacteria and even in the difficult-to-treat ESKAPE
pathogens, can confer antibacterial resistance against the traditional β-lactam antibiotics …

Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study

T Ntombela, Z Fakhar, CU Ibeji, T Govender… - Journal of computer …, 2018 - Springer
Tuberculosis remains a dreadful disease that has claimed many human lives worldwide and
elimination of the causative agent Mycobacterium tuberculosis also remains elusive …