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[HTML][HTML] A multidisciplinary approach to coronavirus disease (COVID-19)
Since December 2019, humanity has faced an important global threat. Many studies have
been published on the origin, structure, and mechanism of action of the SARS-CoV-2 virus …
been published on the origin, structure, and mechanism of action of the SARS-CoV-2 virus …
Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations
VK Vishvakarma, MB Singh, P Jain, K Kumari, P Singh - Amino acids, 2022 - Springer
COVID-19 has shaken all the countries across the globe and researchers are trying to find
promising antiviral to cure the patients suffering from infection and can decrease the death …
promising antiviral to cure the patients suffering from infection and can decrease the death …
Synthesis and modification of noscapine derivatives as promising future anticancer agents
F Nemati, P Salehi - Bioorganic Chemistry, 2024 - Elsevier
Noscapine, a tetrahydroisoquinoline alkaloid, was first isolated from Papaver somniferum
and identified by Rabiquet in 1817. It has been used as an anti-tussive agent since the mid …
and identified by Rabiquet in 1817. It has been used as an anti-tussive agent since the mid …
Efficient synthesis, antimicrobial and molecular modelling studies of 3-sulfenylated oxindole linked 1, 2, 3-triazole hybrids
A novel series of 3-sulfenylated oxindole linked 1, 2, 3-triazole hybrids from 3-sulfenylated
oxindoles bearing a terminal alkyne was efficiently synthesized. After establishing the …
oxindoles bearing a terminal alkyne was efficiently synthesized. After establishing the …
Interactions between main protease of SARS-CoV-2 and testosterone or progesterone using computational approach
VK Vishvakarma, S Pal, P Singh, I Bahadur - Journal of molecular structure, 2022 - Elsevier
SARS-CoV-2 is drastically spread across the globe in a short period of time and affects the
lives of billions. There is a need to find the promising drugs like candidates against the …
lives of billions. There is a need to find the promising drugs like candidates against the …
Investigate oxoazolidine-2, 4-dione based eutectic mixture via DFT calculations and SAR
In this work, DFT calculations for the designed eutectic mixtures (EMs) using oxoazolidine 2,
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …
An insight for the interaction of drugs (acyclovir/ganciclovir) with various ionic liquids: DFT calculations and molecular docking
Since December 2019, the humanity is in trouble due to the huge infection of SARS‐CoV‐2
and caused COVID‐19, named by WHO. Therefore, researchers and health care …
and caused COVID‐19, named by WHO. Therefore, researchers and health care …
Investigate the significance of DES to enhance the solubility of noscapine: DFT calculations, MD simulations, and experimental approach
MB Singh, A Prajapat, P Jain, A Kumar, P Singh… - Ionics, 2024 - Springer
In the present work, investigation of the choline chloride-urea base deep eutectic solvents
(DES) in various solvents has been performed to explore the change in interaction between …
(DES) in various solvents has been performed to explore the change in interaction between …
An investigation to understand the correlation between the experimental and density functional theory calculations of noscapine
Noscapine has anti‐cancerous properties as it ceases cell division at metaphase stage. It is
popular for it's anti‐antitussive properties. Various derivatives of noscapine have significant …
popular for it's anti‐antitussive properties. Various derivatives of noscapine have significant …
[HTML][HTML] In silico evaluation of binding of 2-deoxy-D-glucose with Mpro of nCoV to Combat COVID-19
COVID-19 has threatened the existence of humanity andthis infection occurs due to SARS-
CoV-2 or novel coronavirus, was first reported in Wuhan, China. Therefore, there is a need …
CoV-2 or novel coronavirus, was first reported in Wuhan, China. Therefore, there is a need …