Results 101 to 110 of about 4,190,416 (396)
FEBS Letters, Volume 599, Issue 6, Page 901-911, March 2025.The human Na+/H+ antiporter NHA2 transports Na+ or Li+ in exchange for protons across cell membranes, and its dysfunction results in various pathologies, e.g., fertility disorders, hypertension, or diabetes. This work provides the molecular characterization of interactions of NHA2 with its specific inhibitor phloretin, which can be helpful for the ...
Olga Zimmermannova +3 more
wiley +1 more source
Journal of Biomolecular Structure and Dynamics, 2020 COVID-19 (Coronavirus disease 2019) is a transmissible disease initiated and propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus-2) since 31st December 2019 in Wuhan city of China and the infection has ...
P. Shree +6 more
semanticscholar +1 more source
FEBS Letters, Volume 599, Issue 7, Page 952-970, April 2025.The mitochondrial outer membrane iron–sulphur ([Fe‐S]) protein mitoNEET is a target of the type‐2 diabetes drug pioglitazone. Its unknown molecular function is linked to respiratory complex activity and mitochondrial function. We discovered that O2 protects the mitoNEET [2Fe‐2S] cluster against NO oxidation and desensitization towards reduction by H2S.
Thao Nghi Hoang +9 more
wiley +1 more source
Molecular Docking Sianidin dan Peonidin sebagai Antiinflamasi pada Aterosklerosis secara In Silico [PDF]
, 2018 Atherosclerosis is a chronic inflammatory disease that begins with endothelial dysfunction resulting in plaque growth in the inner walls of the arteries.
Saputra, D. P. (Diajeng) +1 more
core
Evolutionary Multi-Objective Design of SARS-CoV-2 Protease Inhibitor Candidates
, 2020 Computational drug design based on artificial intelligence is an emerging research area. At the time of writing this paper, the world suffers from an outbreak of the coronavirus SARS-CoV-2.
A Alhossary +24 more
core +1 more source
Structure based de novo design of IspD inhibitors as anti-tubercular agents [PDF]
, 2012 Tuberculosis is one of the leading contagious diseases, caused by Mycobacterium tuberculosis. Despite improvements in anti-tubercular agents, it remains one of the most prevalent infectious diseases worldwide, responsible for a total of 1.6 million ...
Abhay T. Sangamwar +4 more
core +2 more sources
International Journal of Molecular Sciences, 2021 Considering the current dramatic and fatal situation due to the high spreading of SARS-CoV-2 infection, there is an urgent unmet medical need to identify novel and effective approaches for prevention and treatment of Coronavirus disease (COVID 19) by re ...
R. Zrieq +11 more
semanticscholar +1 more source
FEBS Letters, Volume 599, Issue 6, Page 848-865, March 2025.The interaction between Agrobacterium fabrum phytochromes Agp1 and Agp2 was studied using FRET. Full‐length and truncated proteins with varied label positions provided spatial insights, narrowing down from many docking models to three. These models explain Agp2's reduction in Agp1 autophosphorylation, with Arg83 of Agp2 specifically evolved to interact
Afaf El Kurdi +7 more
wiley +1 more source
DSDP: A Blind Docking Strategy Accelerated by GPUs [PDF]
arXiv, 2023 Virtual screening, including molecular docking, plays an essential role in drug discovery. Many traditional and machine-learning based methods are available to fulfil the docking task. The traditional docking methods are normally extensively time-consuming, and their performance in blind docking remains to be improved.
arxiv
QSAR studies on Withanolide analogs for anticancer activity [PDF]
, 2011 Withanolides are a group of pharmacologically active compounds present in most prodigal amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most important medicinal plants of Indian systems of medicine.
Dharmendra Kumar Yadav +2 more
core +2 more sources