Binding interaction of allethrin with esterase: bioremediation potential and mechanism
P Bhatt, ER Rene, AJ Kumar, W Zhang, S Chen - Bioresource technology, 2020 - Elsevier
The main aim of this work was to study the allethrin binding interactions with esterase and its
bioremediation potential using an isolated bacterial strain CW7, identified as Pseudomonas …
bioremediation potential using an isolated bacterial strain CW7, identified as Pseudomonas …
In silico identification of potent FDA approved drugs against Coronavirus COVID-19 main protease: A drug repurposing approach
Abstract The Coronavirus COVID-19 Main Proteases play critical role in the propagation of
the Novel Coronavirus (COVID-19). We have applied a bioinformatics approach of drug …
the Novel Coronavirus (COVID-19). We have applied a bioinformatics approach of drug …
Molecular docking and simulation studies of natural compounds of Vitex negundo L. against papain-like protease (PLpro) of SARS CoV-2 (coronavirus) to conquer …
The severe acute respiratory syndrome coronavirus-2 (SARS CoV-2) is β-coronavirus that is
responsible for the pandemic coronavirus disease 2019 (COVID-19) all over the world. The …
responsible for the pandemic coronavirus disease 2019 (COVID-19) all over the world. The …
Interference of Chaga mushroom terpenoids with the attachment of SARS-CoV-2; in silico perspective
Finding a potent inhibitor to the pandemic SARS-CoV-2 is indispensable nowadays.
Currently, in-silico methods work as expeditious investigators to screen drugs for possible …
Currently, in-silico methods work as expeditious investigators to screen drugs for possible …
Insight of the various in silico screening techniques developed for assortment of cocrystal formers and their thermodynamic characterization
P Sarathi, S Padhi - Drug Development and Industrial Pharmacy, 2021 - Taylor & Francis
Most of the widely used drugs have problems associated with their oral bioavailability either
due to their poor aqueous solubility or due to their poor permeability. Co-crystallization is an …
due to their poor aqueous solubility or due to their poor permeability. Co-crystallization is an …
Molecular docking of isolated alkaloids for possible α-glucosidase inhibition
Diabetes mellitus, one of the most common endocrine-metabolic disorders, has caused
significant morbidity and mortality worldwide. To avoid sugar digestion and postprandial …
significant morbidity and mortality worldwide. To avoid sugar digestion and postprandial …
GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
Mucormycosis is a severe fungal infection reported in many cancer survivors, diabetic and
immune-suppressed patients during organ transplants. A vast spark in the reported COVID …
immune-suppressed patients during organ transplants. A vast spark in the reported COVID …
Design, synthesis, spectral characterization, in silico ADMET studies, molecular docking, antimicrobial activity, and anti breast cancer activity of 5, 6-dihydrobenzo [H] …
M Ganesan, J Sekar, SP Kandasamy… - Journal of Molecular …, 2024 - Elsevier
Bio-degradable pharmaceutical ingredients like metformin inbounded innumerable 5, 6-
dihydrobenzo [h] quinazolines were synthesized and characterized with the help of spectral …
dihydrobenzo [h] quinazolines were synthesized and characterized with the help of spectral …
Insights into the binding interaction of substrate with catechol 2, 3-dioxygenase from biophysics point of view
XH Zeng, H Du, HM Zhao, L Xiang, NX Feng… - Journal of hazardous …, 2020 - Elsevier
This study aims to clarify the interaction mechanism of substrate with catechol 2, 3-
dioxygenase (C23O) through multi-technique combination. A novel C23O (named C23O …
dioxygenase (C23O) through multi-technique combination. A novel C23O (named C23O …
A Computational Study on Selected Alkaloids as SARS‐CoV‐2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics …
Despite treatments and vaccinations, it remains difficult to develop naturally occurring
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …