Vikash Kumar Dubey

Prof. Dr. Vikash Kumar Dubey


Research Focus & Metrics

Academic Career Length

24Years (2003-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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7 February 2022 in International Journal of Biological Macromolecules
Verified
Journal Article
Closed access
KPKumari Prerna
Kumari Prerna
VDVikash Kumar Dubey
Vikash Kumar Dubey

2 May 2020 in Journal of Biomolecular Structure and Dynamics
Verified
Journal Article
Closed access
Umesh -Umesh -
Umesh -
DKDebanjan Kundu
Debanjan Kundu
Chandrabose SelvarajChandrabose Selvaraj
Chandrabose Selvaraj
SSSanjeev Kumar Singh
Sanjeev Kumar Singh
VDVikash Kumar Dubey
Vikash Kumar Dubey
The 2019-novel coronavirus (nCoV) has caused a global health crisis by causing coronavirus disease-19 (COVID-19) pandemic in the human population. The unavailability of specific vaccines and anti-viral drug for nCoV, science demands sincere efforts in the field of drug design and discovery for COVID-19. The novel coronavirus main protease (SARS-CoV-2 Mpro) play a crucial role during the disease propagation, and hence SARS-CoV-2 Mpro represents as a drug target for the drug discovery. Herein, we have applied bioinformatics approach for screening of chemical compounds from Indian spices as potent inhibitors of SARS-CoV-2 main protease (PDBID: 6Y84). The structure files of Indian spices chemical compounds were taken from PubChem database or Zinc database and screened by molecular docking, by using AutoDock-4.2, MGLTools-1.5.6, Raccoon virtual screening tools. Top 04 hits based on their highest binding affinity were analyzed. Carnosol exhibited highest binding affinity -8.2 Kcal/mol and strong and stable interactions with the amino acid residues present on the active site of SARS-CoV-2 Mpro. Arjunglucoside-I (-7.88 Kcal/mol) and Rosmanol (-7.99 Kcal/mol) also showed a strong and stable binding affinity with favourable ADME properties. These compounds on MD simulations for 50 ns shows strong hydrogen-bonding interactions with the protein active site and remains stable inside the active site. Our virtual screening results suggest that these small chemical molecules can be used as potential inhibitors against SARS-CoV-2 Mpro and may have an anti-viral effect on nCoV. However, further validation and investigation of these inhibitors against SARS-CoV-2 main protease are needed to claim their candidacy for clinical trials. Communicated by Ramaswamy H. Sarma

1 April 2003 in Phytochemistry
Verified
Journal Article
Closed access
VDVikash Kumar Dubey
Vikash Kumar Dubey
MJM.V Jagannadham
M.V Jagannadham

30 April 2011 in Journal of Agricultural and Food Chemistry
Verified
Journal Article
Closed access
ASAbhay Narayan Singh
Abhay Narayan Singh
SSSushant Singh
Sushant Singh
NSNeeraj Suthar
Neeraj Suthar
VDVikash Kumar Dubey
Vikash Kumar Dubey

1 December 2006 in Journal of Agricultural and Food Chemistry
Verified
Journal Article
Closed access
MPMonu Pande
Monu Pande
VDVikash Kumar Dubey
Vikash Kumar Dubey
SYSubhash C. Yadav
Subhash C. Yadav
MJMedicherla V. Jagannadham
Medicherla V. Jagannadham

5 May 2012 in Applied Biochemistry and Biotechnology
Verified
Journal Article
Closed access
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DCDebamitra Chakravorty
Debamitra Chakravorty
Saravanan ParameswaranSaravanan Parameswaran
Saravanan Parameswaran
VDVikash Kumar Dubey
Vikash Kumar Dubey
SPSanjukta Patra
Sanjukta Patra