Research Articles

Discovery of Small Molecules from Echinacea angustifolia Targeting RNA-Dependent RNA Polymerase of Japanese Encephalitis Virus 2022

Pardeep Yadav, Sherif A. El-Kafrawy, Mai M. El-Day, Wejdan T. Alghafari, Arwa A. Faizo, Saurabh Kumar Jha, Vivek Dhar Dwivedi, and Esam I. Azhar. 2022.

Life 12, no. 7: 952.

Computational assessment of Withania somnifera phytomolecules as putative inhibitors of Mycobacterium tuberculosis CTP synthase PyrG

Ankita Singh, Sanjay Kumar, Vivek Kumar Gupta, Shailja Singh, Vivek Dhar Dwivedi, Usha Mina (2022).

Journal of Biomolecular Structure and Dynamics, 1-14

Discovery of bispecific lead compounds from Azadirachta indica against ZIKA NS2B-NS3 Protease and NS5 RNA dependent RNA polymerase using molecular simulations.

Sanjay Kumar, Sherif A El-Kafrawy, Shiv Bharadwaj, SS Maitra, Thamir A Alandijany, Arwa A Faizo, Aiah M Khateb, Vivek Dhar Dwivedi, Esam I Azhar (2022).

Molecules, 27(8), 2562.

Understanding on the possible routes for SARS CoV-2 invasion via ACE2 in the host linked with multiple organs damage.

Nikhil Kirtipal, Sanjay Kumar, Sumit Kumar Dubey, Vivek Dhar Dwivedi, K Gireesh Babu, Petr Malý, Shiv Bharadwaj (2022).

Infection, Genetics and Evolution, 105254.

Computational and In Vitro Experimental Investigations Reveal Anti-Viral Activity of Licorice and Glycyrrhizin against Severe Acute Respiratory Syndrome Coronavirus 2.

Ahmed M Tolah, Lamya M Altayeb, Thamir A Alandijany, Vivek Dhar Dwivedi, Sherif A El-Kafrawy, Esam I Azhar (2021).

Pharmaceuticals, 14(12), 1216.

Promising Antiviral Activities of Natural Flavonoids against SARS-CoV-2 Targets: Systematic Review.

Ridhima Kaul, Pradipta Paul, Sanjay Kumar, Dietrich Büsselberg, Vivek Dhar Dwivedi, and Ali Chaari (2021).

International Journal of Molecular Sciences. 2021, 22(20), 11069;

Mechanistic insights into the Japanese Encephalitis Virus RNA dependent RNA polymerase protein inhibition by bioflavonoids from Azadirachta indica.

Vivek Dhar Dwivedi, Ankita Singh, Sherif Aly El-Kafraway, Thamir A. Alandijany, Arwa A. Faizo, Leena Hussein Bajrai, Mohammad Amjad Kamal, Esam Ibraheem Azhar (2021).

Scientific Reports.
DOI: 10.1038/s41598-021-96917-0

Cannabinoid type-2 receptor agonist, JWH133 as a possible candidate for targeting infection, inflammation, and immunity in COVID-19.

Niraj Kumar Jha, Charu Sharma, MFN Meeran, Saurabh Kumar Jha, Vivek Dhar Dwivedi, Piyush Kumar Gupta, Abhijit Dey, Kavindra Kumar Kesari, Shreesh Ojha (2021).

Immuno 2021, 1(3), 285-304;

Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro.

Shiv Bharadwaj, Amit Dubey, Umesh Yadava, Sarad Kumar Mishra, Sang Gu Kang, Vivek Dhar Dwivedi (2021). .

Briefings in Bioinformatics, Volume 22, Issue 2, March 2021, Pages 1361–1377,
DOI: 10.1093/bib/bbaa382.

SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs.

Shiv Bharadwaj, Esam Ibraheem Azhar, Mohammad Amjad Kamal, Leena Hussein Bajrai, Amit Dubey, Kanupriya Jha, Umesh Yadava, Sang Gu Kang & Vivek Dhar Dwivedi (2020).

Journal of Biomolecular Structure and Dynamics.
DOI: 10.1080/07391102.2020.1842807

Synergistic effect of vitamin D and remdesivir can fight COVID-19.

Aditya Arya & Vivek Dhar Dwivedi (2020)

Journal of Biomolecular Structure and Dynamics.
DOI: 10.1080/07391102.2020.1773929.

Computational insights into tetracyclines as inhibitors against SARS-CoV-2 Mpro via combinatorial molecular simulation calculations.

Shiv Bharadwaj, Kyung Eun Lee, Vivek Dhar Dwivedi, Sang Gu Kang (2020).

Life Sciences.
DOI: 10.1016/j.lfs.2020.118080.

α-Bisabolol, a Dietary Bioactive Phytochemical Attenuates Dopaminergic Neurodegeneration through Modulation of Oxidative Stress, Neuroinflammation and Apoptosis in Rotenone-Induced Rat Model of Parkinson’s Disease.

Hayate Javed, MF Meeran, Sheikh Azimullah, Lujain Bader Eddin, Vivek Dhar Dwivedi, Niraj Kumar Jha, Shreesh Ojha (2020).

DOI: 10.3390/biom10101421

DenvInD: Dengue Virus Inhibitors Database for Clinical and Molecular Research.

Vivek Dhar Dwivedi, Aditya Arya, Pardeep Kumar, Rajesh Kumar, Gajendrs PS Raghava (2020).

Briefings in Bioinformatics.
DOI: 10.1093/bib/bbaa098.

Computational investigation of phytomolecules as resuscitation-promoting factor B (RpfB) inhibitors for clinical suppression of Mycobacterium tuberculosis dormancy reactivation.

Vivek Dhar Dwivedi, Aditya Arya, Tanuj Sharma, Shweta Sharma, Shripad A. Patil & Vivek Kumar Gupta (2020).

Infection, Genetics and Evolution.
DOI: 10.1016/j.meegid.2020.104356

A multi-target approach for discovery of antiviral compounds against dengue virus from green tea.

Pooja Mahajan, Shantanu Tomar, Adarsh Kumar, Nilesh Yadav, Aditya Arya, & Vivek Dhar Dwivedi (2020).

Network Modeling Analysis in Health Informatics and Bioinformatics, 9(1), 1-10.
DOI: 10.1007/s13721-020-0222-4

Density functional theory and molecular dynamics simulation support Ganoderma lucidum triterpenoids as broad range antagonist of matrix metalloproteinases.

Shiv Bharadwaj, Kyung EunLee, Vivek Dhar Dwivedi, Umesh Yadava, Matthias Nees, Sang GuKang (2020).

Journal of Molecular Liquids.
DOI: 10.1016/j.molliq.2020.113322

Structure-based screening and validation of bioactive compounds as Zika virus Methyltransferase (MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimation.

Shiv Bharadwaj, Akhilesh Kumar Rao, Vivek Dhar Dwivedi, Sarad Kumar Mishra & Umesh Yadava. (2020).

Journal of Biomolecular Structure and Dynamics.
DOI: 10.1080/07391102.2020.1747545.

Anti-Dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition.

Vivek Dhar Dwivedi, Shiv Bharadwaj, Sumbul Afroz, Nooruddin Khan, Mairaj Ahmed Ansari, Umesh Yadava, Ramesh Chandra Tripathi, Indra Prasad Tripathi, Sarad Kumar Mishra & Sang Gu Kang (2020).

Journal of Biomolecular Structure and Dynamics.
DOI: 10.1080/07391102.2020.1734485

Discovery of Ganoderma lucidum triterpenoids as potential inhibitors against Dengue virus NS2B-NS3 protease.

Bharadwaj S, Lee KE, Dwivedi VD, Yadava U, Panwar A, Lucas SJ, Pandey A, Kang SG (2019).

Scientific reports. 9(1):1-12
DOI: 10.1038/s41598-019-55723-5

Integration of biometric ID for the effective 1 collection and epidemiological evaluation of antibiotic prescription in tuberculosis and other diseases: A medical hypothesis.

Arya A,Singh S, Dwivedi VD, Shakila H, (2019),

Journal of Global Antimicrobial Resistance.
DOI: 10.1016/j.jgar.2019.12.003

Computational aided mechanistic understanding of Camellia sinensis bioactive compounds against co‐chaperone p23 as potential anticancer agent.

Bharadwaj S, Lee KE, Dwivedi VD, Yadava U, Kang SG, (2019).

Journal of cellular biochemistry.
DOI: 10.1002/jcb.29229

A web resource for designing subunit vaccine against major pathogenic species of bacteria.

Raghava GPS, Nagpal G, Usmani SS, (2018).

Frontiers in immunology.


Fundamentals of Ecology and Environment. Pathfinder Publication 2018,

Kumar, P and Mina, U.

ISBN : 978-8-19-346550-9




LIFE SCIENCES, Fundamentals and Practice

Pranav Kumar | Usha Mina

2022 Edition

Tools and Techniques

Pranav Kumar

2022 Edition

A problem approach

Pranav | Praveen | Usha Mina

2022 Edition



Pranav Kumar | Usha Mina

2022 Edition