Zobrazeno 1 - 10
of 1 376
pro vyhledávání: '"In silico screening"'
Publikováno v:
Aktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki, Vol 17, Iss 3, Pp 244-252 (2024)
The development of new drug-like molecules based on 7-R-8-hydrazine derivatives of 1,3-dimethylxanthine is promising in view of the known pharmacological effect of theophylline and functional hydrazine derivatives. In silico methods make it possible
Externí odkaz:
https://doaj.org/article/170dc27283d445ecad26d8687a4b7b0b
Autor:
Dingfeng Luo, Zhendong Bai, Haodong Bai, Na Liu, Jincai Han, Changsheng Ma, Di Wu, Lianyang Bai, Zuren Li
Publikováno v:
Journal of Advanced Research, Vol 62, Iss , Pp 59-70 (2024)
Introduction: Herbicide application is a highly efficiency method of weed control that boots agricultural output and assures food security. The development of novel herbicides focuses on improved bioactivity and new modes of action. The amino acid bi
Externí odkaz:
https://doaj.org/article/c0906be692cc4a4996faaa2365af8c06
Publikováno v:
Heliyon, Vol 10, Iss 15, Pp e35020- (2024)
Histone deacetylase 6 (HDAC6, Class IIb) is a promising target for anticancer drugs. So far, few nonselective HDAC inhibitors have received regulatory approval as anticancer agents. However, they are associated with cell toxicity. Thus, isoform-selec
Externí odkaz:
https://doaj.org/article/8e8346387d1f4bd9b37223dccb428c0b
Autor:
Yvett Sosa, Bhav Kapur, Jessica Hurtak, Laura J. Kingsley, Hao Wu, Stefanie Gruber, Herbert Nar, Saad Khattabi, Jesus Seco Moral, Maria Fátima Lucas, Caterina Martin, Nikola Lončar, Frederic Buono, Noah Pefaur, Andrew E. Nixon, Jinhua J. Song
Publikováno v:
Frontiers in Chemical Biology, Vol 3 (2024)
Introduction: Biocatalysis, particularly through engineered enzymes, presents a cost-effective, efficient, and eco-friendly approach to compound synthesis. We sought to identify ketoreductases capable of synthesizing optically pure alcohols or ketone
Externí odkaz:
https://doaj.org/article/9cf8af4a995a453ca62582f81e558283
Autor:
Kusuma Sai Davuluri, Rajnandini Ghanghav, Gunwant Ahire, Mahadeo Kakade, Sarah Cherian, Kalichamy Alagarasu, Deepti Parashar
Publikováno v:
Virology Journal, Vol 21, Iss 1, Pp 1-10 (2024)
Abstract Chikungunya virus (CHIKV) infection causes chikungunya, a viral disease that currently has no specific antiviral treatment. Several repurposed drug candidates have been investigated for the treatment of the disease. In order to improve the e
Externí odkaz:
https://doaj.org/article/7b3ce3dbdac240f2a2a9fcbd15c05534
Autor:
Ayan Das, Mumtaza Mumu, Tanjilur Rahman, Md Abu Sayeed, Md Mazharul Islam, John I. Alawneh, Mohammad Mahmudul Hassan
Publikováno v:
Pathogens, Vol 13, Iss 11, p 928 (2024)
Epstein–Barr virus (EBV), also known as human herpesvirus 4, is a member of the herpes virus family. EBV is a widespread virus and causes infectious mononucleosis, which manifests with symptoms such as fever, fatigue, lymphadenopathy, splenomegaly,
Externí odkaz:
https://doaj.org/article/2d9f10a8b9a3436f800feeb76f67c074
Publikováno v:
Marine Drugs, Vol 22, Iss 10, p 465 (2024)
Numerous studies have reported that mono-(2-ethylhexyl) phthalate (MEHP) (bioactive metabolite of Di(2-ethylhexyl) phthalate) has inhibitory effects on Leydig cells. This study aims to prepare an oyster peptide–zinc complex (PEP-Zn) to alleviate ME
Externí odkaz:
https://doaj.org/article/dc3030fea77f4935abd95374878f75c9
Publikováno v:
Data in Brief, Vol 54, Iss , Pp 110370- (2024)
We have previously performed a hierarchical in silico screening of a Mycobacterium tuberculosis shikimic acid kinase [1]. Specifically, 11 compounds were screened from a library of 154,118 compounds provided by ChemBridge [2] using UCSF DOCK [3] and
Externí odkaz:
https://doaj.org/article/1282413d69e04c8ea76983825a4b7861
Autor:
Shogo Taniguchi, Francois Berenger, Yukako Doi, Ayana Mimura, Yoshihiro Yamanishi, Tsukasa Okiyoneda
Publikováno v:
Frontiers in Pharmacology, Vol 15 (2024)
Cystic fibrosis (CF) is a monogenetic disease caused by the mutation of CFTR, a cAMP-regulated Cl− channel expressing at the apical plasma membrane (PM) of epithelia. ∆F508-CFTR, the most common mutant in CF, fails to reach the PM due to its misf
Externí odkaz:
https://doaj.org/article/2346a245720c4578b737a17b1470e10a
Autor:
Masayuki Kogoshi, Daiki Nishio, Nobutaka Kitahata, Hayato Ohwada, Kazuyuki Kuchitsu, Hideyuki Mizuno, Takamitsu Kurusu
Publikováno v:
Plant Methods, Vol 19, Iss 1, Pp 1-14 (2023)
Abstract Background Plant defense activators offer advantages over pesticides by avoiding the emergence of drug-resistant pathogens. However, only a limited number of compounds have been reported. Reactive oxygen species (ROS) act as not only antimic
Externí odkaz:
https://doaj.org/article/4c2b27a4215c412ebd084e8793889df9