Protein-Protein Docking with F2Dock 2.0 and GB-Rerank [PDF]
, 2013 Rezaul Chowdhury is with UT Austin; Muhibur Rasheed is with UT Austin; Maysam Moussalem is with UT Austin; Donald Keidel is with The Scripps Research Institute; Arthur Olson is with The Scripps Research Institute; Michel Sanner is with The Scripps ...
Bajaj, Chandrajit +6 more
core +4 more sources
Journal of Molecular Docking, 2022 The selective blockade of 5HT7R (5-hydroxytryptamine 7 receptor) displays an antidepressant-like activity. It is a Gs-coupled receptor, which inactivates the adenyl cyclase enzyme or activates the potassium ion channel. Structural information of 5HT7 was
Nahid Fatema +4 more
doaj +1 more source
Titanocene anticancer complexes and their binding mode of action to human serum albumin: a computational study [PDF]
, 2011 Due to the pivotal role played by human serum albumin (HSA) in the transport and cytotoxicity of titanocene complexes, a docking study has been performed on a selected set of titanocene complexes to aid in the current understanding of the potential mode ...
Nutt, David R. +3 more
core +1 more source
Journal of Molecular Docking, 2022 Resistance against anti-tubercular drugs is a significant problem. This elucidates the need for novel drug targets. Altering and targeting the enzymes involved in cell wall synthesis led to fatal damage to the bacterial cell. Mycolic acids are critically
Rishabh Gaur, Praveen Kumar Anand
doaj +1 more source
Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems [PDF]
, 2018 A huge amount of genetic information is available thanks to the recent advances in sequencing technologies and the larger computational capabilities, but the interpretation of such genetic data at phenotypic level remains elusive.
Barradas-Bautista, Didier +3 more
core +2 more sources
Whey-derived peptides interactions with ACE by molecular docking as a potential predictive tool of natural ACE inhibitors [PDF]
, 2020 Several milk/whey derived peptides possess high in vitro angiotensin I-converting enzyme (ACE) inhibitory activity. However, in some cases, poor correlation between the in vitro ACE inhibitory activity and the in vivo antihypertensive activity has been ...
Chamata, Yara +2 more
core +1 more source
Alantolactone: A Potential Multitarget Drug candidate for Prevention of SARS-CoV-2 Cell Entry
Journal of Molecular Docking, 2022 The novel strain of coronavirus, SARS-CoV-2, has spread adverse effects on human health with high mortality rates worldwide. SARS-CoV-2 is a severe respiratory disease expressed through positive single stranded RNA enveloped virus.
Erum Zafar +8 more
doaj +1 more source
Biological evaluations of novel 2,3,3-Trisphosphonate in osteoclastic and osteoblastic activities [PDF]
, 2017 Bisphosphonates (BPs) are the first line treatment for many bone diseases including hypercalcimia associated with bone malignancies. In this paper, we introduce a new analogue of bisphosphonate called the 2,3,3-Trisphosphonate (2,3,3-TriPP) that was ...
Boccaccini, Aldo R. +4 more
core +3 more sources
The effect of a small polyphenolic and terpenoids phytochemical constituent on curing and preventing of Covid-19 infections [PDF]
Pharmacia, 2023 Covid-19 spreading have caused millions of deaths worldwide and caused sever economic shrinking resulted in high levels of inflations. The on going pandemic has pushed the pharmaceutical companies to invent different vaccines to overcome the spreading of
Saif Aldeen Jaber
doaj +3 more sources
GNINA 1.0: molecular docking with deep learning
Journal of Cheminformatics, 2021 Molecular docking computationally predicts the conformation of a small molecule when binding to a receptor. Scoring functions are a vital piece of any molecular docking pipeline as they determine the fitness of sampled poses.
Andrew T. McNutt +7 more
semanticscholar +1 more source