Rajnish Kumar

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 24

Top Venues

Journal of biomolecular structure & dynamics

ACS chemical neuroscience

Molecular diversity

Scientific reports

Indian Institute of Technology Banaras Hindu University

Panjab University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Indian Institute of Technology Banaras Hindu University Oct 28 2019

India

Assistant Professor :: Department of Pharmaceutical Engineering & Technology

Education History

Panjab University May 23 2010 - Mar 07 2014

India

PHD :: University Institute of Pharmaceutical Sciences

Publications

Taher Darreh-Shori, Anurag T K Baidya, Medea Brouwer, Amit Kumar, Rajnish Kumar
Repurposing Duloxetine as a Potent Butyrylcholinesterase Inhibitor: Potential Cholinergic Enhancing Benefits for Elderly Individuals with Depression and Cognitive Impairment. ACS omega 9 (35) (2024)
null Akhilesh, Arjun Menon, Somesh Agrawal, Deepak Chouhan, Anagha Gadepalli, Bhanuranjan Das, Rajnish Kumar, Neeru Singh, Vinod Tiwari
Virtual screening and molecular dynamics investigations using natural compounds against autotaxin for the treatment of chronic pain. Journal of biomolecular structure & dynamics (2024)
Anurag T K Baidya, Bhanuranjan Das, Bharti Devi, Bengt Långström, Hans Ågren, Taher Darreh-Shori, Rajnish Kumar
Mechanistic Insight into the Inhibition of Choline Acetyltransferase by Proton Pump Inhibitors. ACS chemical neuroscience 14 (4) (2023)
Kailash Jangid, Bharti Devi, Ashrulochan Sahoo, Vijay Kumar, Ashish Ranjan Dwivedi, Suresh Thareja, Rajnish Kumar, Vinod Kumar
Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer's disease. Journal of biomolecular structure & dynamics (2023)
Anurag T K Baidya, Bhanuranjan Das, Bharti Devi, Bengt Långström, Hans Ågren, Taher Darreh-Shori, Rajnish Kumar
Mechanistic Insight into the Inhibition of Choline Acetyltransferase by Proton Pump Inhibitors. ACS chemical neuroscience 14 (4) (2023)
Bharti Devi, Sumukh Satyanarayana Vasishta, Bhanuranjan Das, Anurag T K Baidya, Rahul Salmon Rampa, Manoj Kumar Mahapatra, Rajnish Kumar
Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors. Molecular diversity (2023)
Monica Chauhan, Chintu Prajapati, Sadaf Mirza, Rahul Barot, Rasana Yadav, Mahesh A Barmade, Dhruvi Kakadiya, Ravi Vijayvargia, Bijaya Haobam, Anurag Tk Baidya, Rajnish Kumar, Mange Ram Yadav, Prashant R Murumkar
Design, synthesis, biological evaluation and molecular dynamics of some novel 3-phenylpyrazolo[1,5- a ]pyrimidine-2,7(1 H ,4 H )-dione based compounds as anti-tubercular agents. Journal of biomolecular structure & dynamics (2023)
Bhanuranjan Das, Alen T Mathew, Anurag T K Baidya, Bharti Devi, Rahul Rampa Salmon, Rajnish Kumar
Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study. Molecular diversity (2023)
Anurag T K Baidya, Bhanuranjan Das, Bharti Devi, Bengt Långström, Hans Ågren, Taher Darreh-Shori, Rajnish Kumar
Mechanistic Insight into the Inhibition of Choline Acetyltransferase by Proton Pump Inhibitors. ACS chemical neuroscience (2023)
Lalita Dahiya, Rajiv Kumar, Anurag T K Baidya, Sunil Kumar, Rajnish Kumar, Sandip V Pawar, Ashok Kumar Yadav
Design, synthesis, biological evaluations and in silico studies of N-substituted 2,4-thiazolidinedione derivatives as potential a-glucosidase inhibitors. Journal of biomolecular structure & dynamics (2023)
Anurag T K Baidya, Bhanuranjan Das, Bharti Devi, Bengt Långström, Hans Ågren, Taher Darreh-Shori, Rajnish Kumar
Mechanistic Insight into the Inhibition of Choline Acetyltransferase by Proton Pump Inhibitors. ACS chemical neuroscience 14 (4) (2023)
Mandeep Kaur, Akanksha Sharma, Harjeet Kaur, Manjari Singh, Bharti Devi, A R Naresh Raj, Vikas Sood, Ankur Pandey, Janeka Gartia, Rajnish Kumar, Adukamparai R Suresh Babu, Gurpal Singh, Ravi Pratap Barnwal
Screening of potential inhibitors against structural proteins from Monkeypox and related viruses of Poxviridae family via docking and molecular dynamics simulation. Journal of biomolecular structure & dynamics (2023)
Amit Gupta, Niharika Sahu, Ashish P Singh, Vinay Kumar Singh, Suresh C Singh, Vijay J Upadhye, Alen T Mathew, Rajnish Kumar, Rajeshwar P Sinha
Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET Analyses. Applied biochemistry and biotechnology 194 (12) (2022)
Alen T Mathew, Anurag T K Baidya, Bhanuranjan Das, Bharti Devi, Rajnish Kumar
N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study. Proteins (2022)
Lokender Kumar, Sanjay Kumar Singh Patel, Kusum Kharga, Rajnish Kumar, Pradeep Kumar, Jessica Pandohee, Saurabh Kulshrestha, Kusum Harjai, Sanjay Chhibber
Molecular Mechanisms and Applications of N-Acyl Homoserine Lactone-Mediated Quorum Sensing in Bacteria. Molecules (Basel, Switzerland) 27 (21) (2022)
Mithlesh Kumar Temre, Bharti Devi, Vinay Kumar Singh, Yugal Goel, Saveg Yadav, Shrish Kumar Pandey, Rajnish Kumar, Ajay Kumar, Sukh Mahendra Singh
Molecular characterization of glutor-GLUT interaction and prediction of glutor's drug-likeness: implications for its utility as an antineoplastic agent. Journal of biomolecular structure & dynamics (2022)
Anurag Tk Baidya, Amit Kumar, Rajnish Kumar, Taher Darreh-Shori
Allosteric Binding Sites of Aβ Peptides on the Acetylcholine Synthesizing Enzyme ChAT as Deduced by In Silico Molecular Modeling. International journal of molecular sciences 23 (11) (2022)
Pooja Sahu, Rajnish Kumar
The key new techniques in the medicinal chemist's toolkit to prioritize solubility during drug design. Future medicinal chemistry 14 (20) (2022)
Sagorika Nag, Anurag T K Baidya, Abhimanyu Mandal, Alen T Mathew, Bhanuranjan Das, Bharti Devi, Rajnish Kumar
Deep learning tools for advancing drug discovery and development. 3 Biotech 12 (5) (2022)
Ankit Uniyal, P A Shantanu, Shivani Vaidya, Daria A Belinskaia, Natalia N Shestakova, Rajnish Kumar, Sanjay Singh, Vinod Tiwari
Tozasertib Attenuates Neuropathic Pain by Interfering with Aurora Kinase and KIF11 Mediated Nociception. ACS chemical neuroscience 12 (11) (2021)
null Akhilesh, Anurag T K Baidya, Ankit Uniyal, Bhanuranjan Das, Rajnish Kumar, Vinod Tiwari
Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics. Journal of biomolecular structure & dynamics (2021)
Ankit Uniyal, Manoj Kumar Mahapatra, Vinod Tiwari, Rajat Sandhir, Rajnish Kumar
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors. Journal of biomolecular structure & dynamics (2020)
Rajnish Kumar, Amit Kumar, Bengt Långström, Taher Darreh-Shori
Discovery of novel choline acetyltransferase inhibitors using structure-based virtual screening. Scientific reports 7 (1) (2017)
Rajnish Kumar, Martin Moche, Bengt Winblad, Pavel F Pavlov
Combined x-ray crystallography and computational modeling approach to investigate the Hsp90 C-terminal peptide binding to FKBP51. Scientific reports 7 (1) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Rajnish Kumar