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 …
A review on structural genomics approach applied for drug discovery against three vector-borne viral diseases: Dengue, Chikungunya and Zika
S Sundar, S Piramanayagam, J Natarajan - Virus Genes, 2022 - Springer
Structural genomics involves the advent of three-dimensional structures of the genome
encoded proteins through various techniques available. Numerous structural genomics …
encoded proteins through various techniques available. Numerous structural genomics …
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 …
An investigation for the interaction of gamma oryzanol with the Mpro of SARS-CoV-2 to combat COVID-19: DFT, molecular docking, ADME and molecular dynamics …
APS Raman, MB Singh, VK Vishvakarma… - Journal of …, 2023 - Taylor & Francis
COVID-19 has affected more or less every nation across the world and affected the economy
very badly. Infection of this virus in human took the life of millions. We have already faced the …
very badly. Infection of this virus in human took the life of millions. We have already faced the …
Investigate the interaction of testosterone/progesterone with ionic liquids on varying the anion to combat COVID‐19: Density functional theory calculations and …
Hormones like testosterone and progesterone in the humans play significant role in the
regulation of various biological processes like the body growth, reproduction, and others. In …
regulation of various biological processes like the body growth, reproduction, and others. In …
In silico identification of natural antiviral compounds as a potential inhibitor of chikungunya virus non-structural protein 3 macrodomain
M Chaudhary, D Sehgal - Journal of Biomolecular Structure and …, 2022 - Taylor & Francis
Chikungunya Virus (CHIKV) is having a major impact on humans with potentially life-
threatening and debilitating arthritis. The lack of a specific antiviral drug against the CHIKV …
threatening and debilitating arthritis. The lack of a specific antiviral drug against the CHIKV …
L-amino-acids as immunity booster against COVID-19: DFT, molecular docking and MD simulations
P Singh, D Kumar, S Pal, K Kumari, I Bahadur - Journal of Molecular …, 2022 - Elsevier
There is great interest to explore the importance of different amino-acids on immunity of
human. Immunity helps to protect us from the pathogenic infections. The amino-acids are …
human. Immunity helps to protect us from the pathogenic infections. The amino-acids are …
Promising inhibitors of nsp2 of CHIKV using molecular docking and temperature-dependent molecular dynamics simulations
MK Meena, D Kumar, K Kumari… - Journal of …, 2022 - Taylor & Francis
Infection due to the Chikungunya virus (CHIKV) has taken the life of lots of people; and
researchers are working to find the vaccine or promisng drug candidates against this viral …
researchers are working to find the vaccine or promisng drug candidates against this viral …
In silico identification of chikungunya virus replication inhibitor validated using biochemical and cell‐based approaches
M Chaudhary, A Kumar, K Bala Sharma… - The FEBS …, 2024 - Wiley Online Library
Discovering an alternative therapy with a long‐lasting effect on symptoms caused by
chikungunya virus (CHIKV) infection is prompted by the lack of a vaccine and the absence of …
chikungunya virus (CHIKV) infection is prompted by the lack of a vaccine and the absence of …
An insight for the inhibition of anxiolytic and anti-convulsant effects in zebrafish using the curcumins via exploring molecular docking and molecular dynamics …
I Massey, S Yadav, D Kumar, RS Maharia, K Kumari… - Molecular Diversity, 2024 - Springer
In the contemporary landscape, anxiety and seizures stand as major areas of concern,
prompting researchers to explore potential drugs against them. While numerous drugs have …
prompting researchers to explore potential drugs against them. While numerous drugs have …