Zobrazeno 1 - 10
of 53
pro vyhledávání: '"Anand Balupuri"'
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 4683-4696 (2023)
Fragment-based drug discovery (FBDD) is a well-established and effective method for generating diverse and novel hits in drug design. Kinases are suitable targets for FBDD due to their well-defined structure. Water molecules contribute to structure a
Externí odkaz:
https://doaj.org/article/dbec0ba4ba10433aacddf2d048c46fd7
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 21, Iss , Pp 425-431 (2023)
Several diverse proteins possess similar binding sites. Protein binding site comparison provides valuable insights for the drug discovery and development. Binding site similarities are useful in understanding polypharmacology, identifying potential o
Externí odkaz:
https://doaj.org/article/7b1ad06eed014fc9901d8ebb9eb441ae
Publikováno v:
Arabian Journal of Chemistry, Vol 13, Iss 1, Pp 1052-1078 (2020)
Janus kinase 3 (JAK3) is a promising drug target for the treatment of inflammatory diseases, autoimmune disorders, organ transplant rejection and various cancers. In the present study, 3D-QSAR, docking, MD simulation and MM/PBSA studies were performe
Externí odkaz:
https://doaj.org/article/aa53bf771c2f476eaee2b1701412a8a7
Autor:
Susoma Jannat, Anand Balupuri, Md Yousof Ali, Seong Su Hong, Chun Whan Choi, Yun-Hyeok Choi, Jin-Mo Ku, Woo Jung Kim, Jae Yoon Leem, Ju Eun Kim, Abinash Chandra Shrestha, Ha Neul Ham, Kee-Ho Lee, Dong Min Kim, Nam Sook Kang, Gil Hong Park
Publikováno v:
Experimental and Molecular Medicine, Vol 51, Iss 2, Pp 1-18 (2019)
Alzheimer’s disease: Promising therapeutic compounds found in plants Compounds extracted from bracken fern block the activity of three enzymes associated with Alzheimer’s disease (AD). Because AD is a complex and multifactorial disease, a multita
Externí odkaz:
https://doaj.org/article/5ae3be2dc39f46c2984bc757d6b01c33
Publikováno v:
Molecules, Vol 25, Iss 11, p 2615 (2020)
Human ether-a-go-go-related gene (hERG) potassium channel blockage by small molecules may cause severe cardiac side effects. Thus, it is crucial to screen compounds for activity on the hERG channels early in the drug discovery process. In this study,
Externí odkaz:
https://doaj.org/article/cb04ceca97634de9b8cd2c4a29864ecb
Publikováno v:
Molecules, Vol 24, Iss 15, p 2808 (2019)
Autotaxin (ATX) is a potential drug target that is associated with inflammatory diseases and various cancers. In our previous studies, we have designed several inhibitors targeting ATX using computational and experimental approaches. Here, we have an
Externí odkaz:
https://doaj.org/article/a2a6fc6e612840dc8ff00229370cb6dd
Publikováno v:
Molecules, Vol 24, Iss 14, p 2653 (2019)
Water molecules play a key role in protein stability, folding, function and ligand binding. Protein hydration has been studied using free energy perturbation algorithms. However, the study of protein hydration without free energy calculation is also
Externí odkaz:
https://doaj.org/article/f545905a718f428d973d69e338aa4543
Autor:
Myeong Hwi Lee, Anand Balupuri, Ye-rim Jung, Sungwook Choi, Areum Lee, Young Sik Cho, Nam Sook Kang
Publikováno v:
Molecules, Vol 23, Iss 12, p 3136 (2018)
Protein kinases are deeply involved in immune-related diseases and various cancers. They are a potential target for structure-based drug discovery, since the general structure and characteristics of kinase domains are relatively well-known. However,
Externí odkaz:
https://doaj.org/article/554bccca55ef4ef1af34875c56bcc9df
Publikováno v:
Molecules, Vol 23, Iss 3, p 555 (2018)
Sauchinone, an active lignan isolated from the aerial parts of Saururus chinensis (Saururaceae), exhibits anti-inflammatory, anti-obesity, anti-hyperglycemic, and anti-hepatic steatosis effects. As herb–drug interaction (HDI) through cytochrome P45
Externí odkaz:
https://doaj.org/article/c3ca4fd7e8634ddca6e2850a8b8ff486
Publikováno v:
Computational and structural biotechnology journal. 21
Several diverse proteins possess similar binding sites. Protein binding site comparison provides valuable insights for the drug discovery and development. Binding site similarities are useful in understanding polypharmacology, identifying potential o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71c3a92ea87bcdc80004bbf1b1337a2e
https://pubmed.ncbi.nlm.nih.gov/36618985
https://pubmed.ncbi.nlm.nih.gov/36618985