Molecular analysis of 5-COR derivatives of uracil and evaluating their affinity against the MPro target of COVID-19
Molecular analysis of 5-COR (R: H, CH 3, NH 2, OH, F, Cl, Br, I) functionalized derivatives of
uracil (U) were explored in this work using computational procedures. Next, binding affinity …
uracil (U) were explored in this work using computational procedures. Next, binding affinity …
DFT investigation of a Zn-doped carbon nanocone for the drug delivery of methylated aspirins
AG Gol, J Akbari, M Khalaj, SM Mousavi-Safavi… - Computational and …, 2023 - Elsevier
A zinc-doped (Zn-doped) carbon nanocone (NANO) was investigated in this work for the
drug delivery of aspirin (ASP) and eight methylated derivatives (A1-A8). Geometries of the …
drug delivery of aspirin (ASP) and eight methylated derivatives (A1-A8). Geometries of the …
A comparative DFT study on Al-and Si-doped single-wall carbon nanotubes (SWCNTs) for Ribavirin drug sensing and detection
SS Dalgic, ZH Al-Sawaff, S Dalgic… - Materials Science in …, 2023 - Elsevier
In this work, we have presented a comparative study on Ribavirin (RBV) drug sensing and
detection on the pristine and functionalized single-wall carbon nanotubes (f-SWCNTs) by …
detection on the pristine and functionalized single-wall carbon nanotubes (f-SWCNTs) by …
Synthesis, mesomorphic properties, and theoretical study of benzothiazole-aromatic molecules with ester-and azomethine-linking groups
Two novel groups of rod-like molecules with benzothiazole-aromatic systems: one group
(group A) having an ester linkage with different thioalkyl chain length and the other (group B) …
(group A) having an ester linkage with different thioalkyl chain length and the other (group B) …
In Silico Testing of Some Protected Galactopyranose as SARS-CoV-2 Main Protease Inhibitors
AKMS Azada, MN Islamb… - Journal of Applied …, 2022 - publisher.unimas.my
An outbreak of novel Coronavirus disease (COVID-19 or 2019-nCoV) due to the severe
acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has already demonstrated a fatal …
acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has already demonstrated a fatal …