Structural and dynamic characterizations highlight the deleterious role of SULT1A1 R213H polymorphism in substrate binding

R Dash, MC Ali, N Dash, MAK Azad… - International Journal of …, 2019 - mdpi.com
Sulfotransferase 1A1 (SULT1A1) is responsible for catalyzing various types of endogenous
and exogenous compounds. Accumulating data indicates that the polymorphism rs9282861 …

In silico protein engineering shows that novel mutations affecting NAD+ binding sites may improve phosphite dehydrogenase stability and activity

S Baammi, R Daoud, A El Allali - Scientific Reports, 2023 - nature.com
Pseudomonas stutzeri phosphite dehydrogenase (PTDH) catalyzes the oxidation of
phosphite to phosphate in the presence of NAD, resulting in the formation of NADH. The …

Molecular docking and molecular dynamics simulation of Bacillus thuringiensis dehalogenase against haloacids, haloacetates and chlorpyrifos

HA Oyewusi, F Huyop, RA Wahab - Journal of Biomolecular …, 2022 - Taylor & Francis
The high dependency and surplus use of agrochemical products have liberated enormous
quantities of toxic halogenated pollutants into the environment and threaten the well-being …

Retracted: Comparative molecular docking and molecular‐dynamic simulation of wild‐type‐and mutant carboxylesterase with BTA‐hydrolase for enhanced binding to …

F Lameh, AQ Baseer, AG Ashiru - Engineering in Life Sciences, 2022 - Wiley Online Library
According to the literature review, microbial degradation of polyethylene terephthalate by
PETases has been detected effective and eco‐friendly. However, the number of …

In silico mutagenesis on active site residues of Acinetobacter haemolyticus lipase KV1 for improved binding to polyethylene terephthalate (PET)

NFS Khairul Anuar, R Abdul Wahab… - Journal of …, 2024 - Taylor & Francis
Polyethylene terephthalate (PET) pollution is an emerging environmental hazard because of
its recalcitrance to degradation. This study proposes an in silico mutagenesis of LipKV1 from …

Computational design of a novel multi-epitope vaccine against Coxiella burnetii

A Jaydari, N Nazifi, A Forouharmehr - Human Immunology, 2020 - Elsevier
Query fever is a zoonotic disease caused by Coxiella burnetii. There is no universal method
for the prevention of this disease. Recombinant vaccine is a potent strategy that can be …

Molecular dynamics and 3D-QSAR studies on indazole derivatives as HIF-1α inhibitors

Y Singh, KS Sanjay, P Kumar, S Singh… - Journal of Biomolecular …, 2023 - Taylor & Francis
Hypoxia-inducible factor (HIF) is a transcriptional factor which plays a crucial role in tumour
metastasis thereby responsible for development of various forms of cancers. Indazole …

Molecular docking and molecular dynamics simulations of a mutant Acinetobacter haemolyticus alkaline-stable lipase against tributyrin

NFSK Anuar, RA Wahab, F Huyop… - Journal of …, 2021 - Taylor & Francis
We previously reported on a mutant lipase KV1 (Mut-LipKV1) from Acinetobacter
haemolyticus which optimal pH was raised from 8.0 to 11.0 after triple substitutions of …

[HTML][HTML] Development of Escherichia coli asparaginase II for the treatment of acute lymphocytic leukemia: In silico reduction of asparaginase II side effects by a novel …

N Ardalan, AA Sepahi… - Asian Pacific Journal of …, 2021 - ncbi.nlm.nih.gov
Acute lymphoblastic leukemia (ALL) is a common blood disease in children that is
accountable for many deaths. Due to major improvements in treatment procedures in the …

Proteasome mediated degradation of CDC25C and Cyclin B1 in Demethoxycurcumin treated human glioma U87 MG cells to trigger G2/M cell cycle arrest

N Lal, V Nemaysh, PM Luthra - Toxicology and applied pharmacology, 2018 - Elsevier
Recently, we have reported that Demethoxycurcumin induced Reactive oxygen species via
inhibition of Mitochondrial Superoxide Dismutase is an initial event to trigger apoptosis …