Zobrazeno 1 - 10
of 3 949
pro vyhledávání: '"Autodock"'
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-14 (2024)
Abstract Bacterial vaginosis (BV), primarily attributed to Gardnerella vaginalis, poses significant challenges due to antibiotic resistance and suboptimal treatment outcomes. This study presents an integrated approach to identify potential drug targe
Externí odkaz:
https://doaj.org/article/becf2730d8824fdebaac46991e21dab7
MOLECULAR DOCKING STUDY OF EPIGALLOCATECHIN GALLATE (EGCG) AS A THERAPY FOR TYPE 2 DIABETES MELLITUS
Publikováno v:
Jurnal Kimia Riset, Vol 9, Iss 1, Pp 46-58 (2024)
Epigallocatechin gallate (EGCG) has an effect in reducing sugar levels in the blood by inhibiting α-glucosidase enzyme, which is connected explicitly by hydrogen bonds and modifies the secondary structure and micro-environment of the enzyme reversib
Externí odkaz:
https://doaj.org/article/7505dd1b058445c7a412c1ca2e3e0dcd
Publikováno v:
Drug Design, Development and Therapy, Vol Volume 18, Pp 1531-1546 (2024)
Yan Ma,1,2,* Qian Cui,3,* Wenjing Zhu,1,4,* Mei Wang,1,2 Li Zhai,5 Wenmin Hu,1,2 Dongdong Liu,6 Min Liu,5 Yongchun Li,2 Meng Li,2 Wei Han1,2 1Qingdao Key Laboratory of Common Diseases, Qingdao Municipal Hospital, School of Medicine and Ph
Externí odkaz:
https://doaj.org/article/1fa31b81c15b4424b62872728409ba70
Autor:
Denick Amon, Prince Manu, Evelyn Asante-Kwatia, Priscilla Kolibea Mante, Cynthia Amaning Danquah, Lawrence Sheringham Borquaye, Edmund Ekuadzi
Publikováno v:
Scientific African, Vol 26, Iss , Pp e02382- (2024)
Tabernaemontana crassa is a native plant indigenous to Ghana which has garnered local recognition for its purported efficacy against ringworm, wounds, abscesses, and antibacterial infections. However, the antibacterial and resistance modifying effect
Externí odkaz:
https://doaj.org/article/5febbf8d8f7b4c27b5dd806709f1bc40
Autor:
Zakaria Bouchouireb, Damien Olivier-Jimenez, Titouan Jaunet-Lahary, Steeve H. Thany, Jean-Yves Le Questel
Publikováno v:
Ecotoxicology and Environmental Safety, Vol 281, Iss , Pp 116582- (2024)
Molecular docking, pivotal in predicting small-molecule ligand binding modes, struggles with accurately identifying binding conformations and affinities. This is particularly true for neonicotinoids, insecticides whose impacts on ecosystems require p
Externí odkaz:
https://doaj.org/article/3766600ed36e40198113435dde7ffd68
Publikováno v:
Journal of Veterinary and Animal Sciences, Vol 54, Iss 4, Pp 875-881 (2023)
Sida cordifolia and Eupatorium triplinervis have been used traditionally for treatment of various ailments. An in-silico study was carried out to identify the interaction between the selected phytocompounds with B-cell lymphoma 2 (Bcl2). The crystal
Externí odkaz:
https://doaj.org/article/4c3569cb4e3d4c65918e9f24280e6d02
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-11 (2023)
Abstract Docking of large compound collections becomes an important procedure to discover new chemical entities. Screening of large sets of compounds may also occur in de novo design projects guided by molecular docking. To facilitate these processes
Externí odkaz:
https://doaj.org/article/3a7d632969544228a1e857f6137518e0
Autor:
Lisha K. Poonacha, Rashmi Ramesh, Akshay Ravish, Arunkumar Mohan, Pradeep M. Uppar, Prashant K. Metri, Nanjunda Swamy Shivananju, Santosh L. Gaonkar, Shubha Gopal, Alexey Yu Sukhorukov, Vijay Pandey, Priya Babu Shubha, Basappa Basappa
Publikováno v:
Applied Microbiology, Vol 3, Iss 4, Pp 1214-1228 (2023)
Heterocyclic compounds can specifically regulate bacterial development by targeting specific bacterial enzymes and metabolic pathways. The ESKAPE pathogens are multidrug-resistant and cause nosocomial infections, which is one of the greatest challeng
Externí odkaz:
https://doaj.org/article/9b33de861b99471ab32c0f9333821a16
Publikováno v:
Clinical Phytoscience, Vol 9, Iss 1, Pp 1-17 (2023)
Abstract Background Urolithiasis, the deposit of stones in the urinary tract is a pertinent clinical issue in daily practice that imposes a burden on the human health system. Ficus religiosa plant has historically been useful in preventing urolithias
Externí odkaz:
https://doaj.org/article/6aac5ee58b404479aec333679d04efb3
Publikováno v:
Microbes and Infectious Diseases, Vol 4, Iss 3, Pp 1041-1052 (2023)
Background: Tuberculosis (TB) is one of the major global health problems and faced to the increased resistance of Mycobacterium tuberculosis strains against existing antitubercular agents, it is important to look for new antitubercular drugs. Aims: T
Externí odkaz:
https://doaj.org/article/12da8ae799174a3398a01fce7d6397fc