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 …
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 …
Exploration of DFT and TD-DFT computation to investigate the interaction between paracetamol and lithium or its compounds
MB Singh, P Bhagat, P Jain, P Singh - Journal of Molecular Liquids, 2023 - Elsevier
Paracetamol is a commonly used antipyretic drug and its consumption drastically was
increased during the COVID-19 times as fever was one of the symptoms. The excessive …
increased during the COVID-19 times as fever was one of the symptoms. The excessive …
Volumetric and acoustic properties of L-phenyl glycine and L-phenylalanine in aqueous solution of 1-dodecyl-3-methylimidazolium bromide [C12mim][Br]
To study the molecular interactions between the ternary mixtures containing long chain
imidazolium based ionic liquid as a common solvent with substituted amino acids L-phenyl …
imidazolium based ionic liquid as a common solvent with substituted amino acids L-phenyl …
Investigate the binding of pesticides with the TLR4 receptor protein found in mammals and zebrafish using molecular docking and molecular dynamics simulations
S Yadav, M Aslam, A Prajapat, I Massey, B Nand… - Scientific Reports, 2024 - nature.com
The widespread use of pesticides poses significant threats to both environmental and
human health, primarily due to their potential toxic effects. The study investigated the …
human health, primarily due to their potential toxic effects. The study investigated the …
Exploration of interactions between L-aspartic acid and saccharides in aqueous medium at T=(293.15–313.15) K: Physicochemical and spectroscopic approach
RK Pradhan, S Singh - Journal of Molecular Liquids, 2024 - Elsevier
In this study, we report the density, viscosity, taste behavior and UV–Vis spectrophotometry
results of L-Aspartic acid (Asp) in aqueous solutions of L-arabinose and D-xylose over an …
results of L-Aspartic acid (Asp) in aqueous solutions of L-arabinose and D-xylose over an …
Exploring the effects of saccharides on the solvation behaviour of L-Citrulline in aqueous medium: Volumetric, transition state theory, transfer parameters and …
RK Pradhan, S Singh - Food Chemistry, 2024 - Elsevier
This study examines the volumetric, viscometric and UV–vis characteristics of L-Citrulline in
water and aqueous saccharides at atmospheric pressure across the whole concentration …
water and aqueous saccharides at atmospheric pressure across the whole concentration …
Study the solubility of pharmaceutical ingredients and their eutectic mixtures: An in-depth density functional theory and molecular dynamics simulations approaches
Solubility is a major concern for many active pharmaceutical ingredients (APIs) and drugs.
Owing to their better solubility, biodegradability and low toxicity of APIs and drugs, eutectic …
Owing to their better solubility, biodegradability and low toxicity of APIs and drugs, eutectic …
Probing into Volumetric and Acoustic Properties of Aqueous l-Ascorbic Acid in the Presence of Diammonium Hydrogen Phosphate and Potassium Chloride
P Mohapatra, S Mohapatra, MP Panda… - Journal of Chemical & …, 2024 - ACS Publications
The objective of this study is to investigate the effects of residual present-day high-grade
fertilizers on human physiology. Volumetric and acoustic investigations on aqueous l …
fertilizers on human physiology. Volumetric and acoustic investigations on aqueous l …
Investigating the Potential of 2‐Ethylbutyl‐(Phenoxy) phosphoryl‐D‐Alaninate Against RNA‐Dependent RNA Polymerase (RdRp) of SARS‐CoV‐2
There was an emergency call globally when COVID‐19 was detected in December 2019.
The SARS‐CoV‐2 virus, a modified virus, is what causes this contagious disease. Although …
The SARS‐CoV‐2 virus, a modified virus, is what causes this contagious disease. Although …