Computational screening and molecular docking of compounds from Traditional Chinese Medicine (TCM) by targeting DNA topoisomerase I to design potential anticancer drugs.

Autor: Shimu, Mst. Sharmin Sultana¹ (AUTHOR) Sharminshimu120@gmail.com

Publikováno v: PLoS ONE. 9/12/2024, Vol. 19 Issue 9, p1-14. 14p.

Montelukast is a dual-purpose inhibitor of SARS-CoV-2 infection and virus-induced IL-6 expression identified by structure-based drug repurposing

Autor: Max Luedemann, Daniela Stadler, Cho-Chin Cheng, Ulrike Protzer, Percy A. Knolle, Sainitin Donakonda

Publikováno v: Computational and Structural Biotechnology Journal, Vol 20, Iss, Pp 799-811 (2022)
Computational and Structural Biotechnology Journal
Comp. Struc. Biotech. J. 20, 799-811 (2022)

Graphical abstract
Drug-repurposing has been instrumental to identify drugs preventing SARS-CoV-2 replication or attenuating the disease course of COVID-19. Here, we identify through structure-based drug-repurposing a dual-purpose inhibitor of S

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf39d53fae30a82c808044069a25f50d
http://www.sciencedirect.com/science/article/pii/S2001037022000319

Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2

Autor: Zulkar Nain, Mohaimenul Islam Tareq, Abdullah-Al-Mamun, Suza Mohammad Nur, Thamer A. Bouback, Raihan Rahman Imon, Ishtiaq Qadri, Shahedur Rahman, Foysal Ahammad, Saddam Hossen, Rahat Alam, Tomasz M. Karpiński, Abdus Samad, Enamul Kabir Talukder, Sushil Pokhrel

Publikováno v: International Journal of Biological Macromolecules

Angiotensin-converting enzyme 2 (ACE2), also known as peptidyl-dipeptidase A, belongs to the dipeptidyl carboxydipeptidases family has emerged as a potential antiviral drug target against SARS-CoV-2. Most of the ACE2 inhibitors discovered till now ar

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e497649ef3b10bf02881728e8cfa000
https://doi.org/10.1016/j.ijbiomac.2021.09.146

Lonicerin targets EZH2 to alleviate ulcerative colitis by autophagy-mediated NLRP3 inflammasome inactivation

Autor: Jian Liu, Qi Lv, Yinan Zhang, Yao Xing, Dong Dong, Yue Liu, Lihong Hu, Hongzhi Qiao

Publikováno v: Acta Pharmaceutica Sinica. B
Acta Pharmaceutica Sinica B, Vol 11, Iss 9, Pp 2880-2899 (2021)

Aberrant activation of NLRP3 inflammasome in colonic macrophages strongly associates with the occurrence and progression of ulcerative colitis. Although targeting NLRP3 inflammasome has been considered to be a potential therapy, the underlying mechan

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b197d7e1bd61447a9d7a45da0a56387
https://doi.org/10.1016/j.apsb.2021.03.011

Discovery of the allosteric inhibitor from actinomyces metabolites to target EGFR^CSTMLR mutant protein: molecular modeling and free energy approach.

Autor: Saini, Ravi¹ (AUTHOR), Kumari, Sonali¹ (AUTHOR), Bhatnagar, Aditi¹ (AUTHOR), Singh, Amit² (AUTHOR) amisingh@bhu.ac.in, Mishra, Abha¹ (AUTHOR) abham.bce@iitbhu.ac.in

Publikováno v: Scientific Reports. 6/1/2023, Vol. 13 Issue 1, p1-13. 13p.