IDR Home
→
Browsing by Author

Browsing by Author "Kumar, Rajnish"

Now showing items 1-7 of 7

Allosteric Binding Sites of Aβ Peptides on the Acetylcholine Synthesizing Enzyme ChAT as Deduced by In Silico Molecular Modeling

Baidya, Anurag T. K.; Kumar, Amit; Kumar, Rajnish; Darreh-Shori, Taher (MDPI, 2022-06-01)

The native function of amyloid-β (Aβ) peptides is still unexplored. However, several recent reports suggest a prominent role of Aβ peptides in acetylcholine homeostasis. To clarify this role of Aβ, we have reported that ...
Deep learning tools for advancing drug discovery and development

Nag, Sagorika; Baidya, Anurag T. K.; Mathew, Alen T.; Das, Bhanuranjan; Devi, Bharti; Kumar, Rajnish; Mandal, Abhimanyu (Springer Science and Business Media Deutschland GmbH, 2022-05)

A few decades ago, drug discovery and development were limited to a bunch of medicinal chemists working in a lab with enormous amount of testing, validations, and synthetic procedures, all contributing to considerable ...
Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET Analyses

Gupta, Amit; Sahu, Niharika; Singh, Ashish P; Singh, Vinay Kumar; Singh, Suresh C; Upadhye, Vijay J; Mathew, Alen T; Kumar, Rajnish; Sinha, Rajeshwar P. (Springer, 2022-12)

In the year 2019–2020, the whole world witnessed the spread of a disease called COVID19 caused by SARS-CoV-2. A number of efective drugs and vaccine has been formulated to combat this outbreak. For the development of ...
FKBP51‑Hsp90 Interaction‑Defcient Mice Exhibit Altered Endocrine Stress Response and Sex Diferences Under High‑Fat Diet

Wang, Lisha; Wojcieszak, Jakub; Kumar, Rajnish; Zhao, Zhe; Sun, Xuelian; Xie, Shaoxun; Winblad, Bengt; Pavlov, Pavel F. (Springer, 2023-09-19)

FK506-binding protein 51 kDa (FKBP51), encoded by Fkbp5 gene, gained considerable attention as an important regulator of several aspects of human biology including stress response, metabolic dysfunction, inflammation, and ...
Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

Devi, Bharti; Vasishta, Sumukh Satyanarayana; Das, Bhanuranjan; Baidya, Anurag T. K.; Rampa, Rahul Salmon; Mahapatra, Manoj Kumar; Kumar, Rajnish (Institute for Ionics, 2023-02-06)

Protein tyrosine phosphatases (PTPs) are the group of enzymes that control both cellular activity and the dephosphorylation of tyrosine (Tyr)-phosphorylated proteins. Dysregulation of PTP1B has contributed to numerous ...
Molecular Mechanisms and Applications of N-Acyl Homoserine Lactone-Mediated Quorum Sensing in Bacteria

Kumar, Lokender; Patel, Sanjay Kumar Singh; Kharga, Kusum; Kumar, Rajnish; Kumar, Pradeep; Pandohee, Jessica; Kulshresha, Sourabh; Harjai, Kusum; Chhibber, Sanjay (MDPI,CODEN, MOLEF, 2022-11)

Microbial biodiversity includes biotic and abiotic components that support all life forms by adapting to environmental conditions. Climate change, pollution, human activity, and natural calamities affect microbial biodiversity. ...
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors

Uniyal, Ankit; Mahapatra, Manoj Kumar; Tiwari, Vinod; Sandhir, Rajat; Kumar, Rajnish (Taylor and Francis Ltd., 2022-05)

COVID-19 pandemic has created a healthcare crisis across the world and has put human life under life-threatening circumstances. The recent discovery of the crystallized structure of the main protease (Mpro) from SARS-CoV-2 ...

Now showing items 1-7 of 7

Search in IDR

Advanced Search

Browse

All of IDR

Browsing by Author "Kumar, Rajnish"

Browsing by Author "Kumar, Rajnish"

Search in IDR

Browse

All of IDR

My Account