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Advancements in small molecule drug design: A structural perspective
Highlights•Importance of accurate protein structure prediction for small molecule drug
design.•Key structural features and properties used in small molecule drug …
design.•Key structural features and properties used in small molecule drug …
Application of molecular dynamics simulation in self-assembled cancer nanomedicine
X Xu, A Liu, S Liu, Y Ma, X Zhang, M Zhang… - Biomaterials …, 2023 - spj.science.org
Self-assembled nanomedicine holds great potential in cancer theragnostic. The structures
and dynamics of nanomedicine can be affected by a variety of non-covalent interactions, so …
and dynamics of nanomedicine can be affected by a variety of non-covalent interactions, so …
Network pharmacology, molecular docking and molecular dynamics to explore the potential immunomodulatory mechanisms of deer antler
L Liu, Y Jiao, M Yang, L Wu, G Long, W Hu - International Journal of …, 2023 - mdpi.com
The use of deer antlers dates back thousands of years in Chinese history. Deer antlers have
antitumor, anti-inflammatory, and immunomodulatory properties and can be used in treating …
antitumor, anti-inflammatory, and immunomodulatory properties and can be used in treating …
Computational molecular docking and virtual screening revealed promising SARS-CoV-2 drugs
The pandemic of novel coronavirus disease 2019 (COVID-19) has rampaged the world, with
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …
Distinguishing the nanoplastic–cell membrane interface by polymer type and aging properties: translocation, transformation and perturbation
L Li, S Li, Y Xu, L Ren, L Yang, X Liu, Y Dai… - Environmental …, 2023 - pubs.rsc.org
Nanoscale plastics, being ubiquitous in the environment, can cross biological barriers
primarily through interactions with the cell membrane; yet there remains a lack of knowledge …
primarily through interactions with the cell membrane; yet there remains a lack of knowledge …
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against …
The recent pandemic caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
Network pharmacology and molecular docking technology-based predictive study of the active ingredients and potential targets of rhubarb for the treatment of diabetic …
S Fu, Y Zhou, C Hu, Z Xu, J Hou - BMC complementary medicine and …, 2022 - Springer
Diabetic nephropathy (DN) is one of the most serious complications of diabetes and the
main cause of end-stage renal failure. Rhubarb is a widely used traditional Chinese herb …
main cause of end-stage renal failure. Rhubarb is a widely used traditional Chinese herb …
Human cathelicidin inhibits SARS-CoV-2 infection: killing two birds with one stone
C Wang, S Wang, D Li, P Chen, S Han… - ACS infectious …, 2021 - ACS Publications
SARS-CoV-2 infection begins with the association of its spike 1 (S1) protein with host
angiotensin-converting enzyme-2 (ACE2). Targeting the interaction between S1 and ACE2 …
angiotensin-converting enzyme-2 (ACE2). Targeting the interaction between S1 and ACE2 …
[HTML][HTML] Enamel-like tissue regeneration by using biomimetic enamel matrix proteins
Z Fang, M Guo, Q Zhou, Q Li, HM Wong… - International Journal of …, 2021 - Elsevier
Enamel regeneration currently-is limited by our inability to duplicate artificially its
complicated and well-aligned hydroxyapatite structure. The initial formation of enamel …
complicated and well-aligned hydroxyapatite structure. The initial formation of enamel …
A zwitterionic solution for smart ionic liquids to evade cytotoxicity
By linking the cation and anion motifs of ionic liquids (ILs), zwitterionic liquids (ZILs) exhibit
at least 146–2740 and 112–1550 folds less cytotoxicity in human gastric and colon cells …
at least 146–2740 and 112–1550 folds less cytotoxicity in human gastric and colon cells …