Results 251 to 260 of about 452,634 (352)

Explore on screening COX-2 inhibitors from the essential oil of Solanum lyratum Thunb. By molecular docking and molecular dynamics simulation

Heliyon
This study aimed to investigate Solanum lyratum Thunb. with respect to the potential ingredients with anti-inflammatory activity from its essential oil by silico study. To this regard, the essential oil of Solanum lyratum Thunb.
Hanyang Xiao, Yan Gui, Xianfei Li, Wen Dai, Chuanhua Feng, Gang Li, Jiangnan Luo   +6 more
doaj  

Computational analysis of Amsacrine resistance in human topoisomerase II alpha mutants (R487K and E571K) using homology modeling, docking and all-atom molecular dynamics simulation in explicit solvent

, 2017
Safaa Sader, Chun Wu
openalex   +2 more sources

Study of the binding mechanisms between palytoxin and its aptamer by docking and molecular simulation [PDF]

, 2018
Bo Hu, Rong Zhou, Zhengang Li, Jiaxiang Qin, Shengqun Ouyang, Zhen Li, Wei Hu, Lianghua Wang, Binghua Jiao   +8 more
openalex   +1 more source

Hyperpolarization Modulation of the T‐Type hCav3.2 Channel by Human Synenkephalin [1–53], a Shrew Neurotoxin Analogue without Paralytic Effects

Angewandte Chemie, EarlyView.
Human synenkephalin [1–53] (hSYN), an analogue peptide of shrew saliva neurotoxins, was synthesized and its structural characteristics studied. Synthetic hSYN potently activated the T‐type voltage‐gated Ca channel hCav3.2 but did not paralyze mealworms. These findings offer new insight into neurological disorder treatment and evolutionary mechanisms of
Ryo Fukuoka, Yusuke Yano, Nozomi Hara, Chihiro Sadamoto, Andres D. Maturana, Masaki Kita   +5 more
wiley   +2 more sources

The Antioxidant Mechanism of Peptides Extracted from Tuna Protein Revealed Using a Molecular Docking Simulation. [PDF]

Antioxidants (Basel)
Guo X, Liu J, Wang C, Wen Z, Zheng B.
europepmc   +1 more source

Investigating the potential antiviral activity drugs against SARS-CoV-2 by molecular docking simulation. [PDF]

J Mol Liq, 2020
El-Hoshoudy AN.
europepmc   +1 more source

A hepatoprotective experiment on taro vegetable (Colocasia esculenta (L.) Schott) flower employing animal models by mitigating oxidative stress

Animal Models and Experimental Medicine, EarlyView.
The antioxidant efficacy of Colocasia esculenta flower’s methanolic extract was assessed using 2,2′‐azino‐bis‐(3‐ethylbenzothiazoline‐6‐sulfonic) (ABTS) and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) scavenging assay. The hepatoprotective effect was investigated by assessing liver injury indicators (amino transferase [ALT], aspartate amino transferase [AST],
Mahathir Mohammad, Fahmida Tasnim Richi, Rabiul Hossain, Md. Arafat, Pair Ahmed Jiko, Nazim Uddin Emon, Sayed Al Hossain Rabbi, Tirtha Khastagir, Md. Hemayet Hossain, Safaet Alam   +9 more
wiley   +1 more source

Can human allergy drug fexofenadine, an antagonist of histamine (H1) receptor, be used to treat dog and cat? Homology modeling, docking and molecular dynamic Simulation of three H1 receptors in complex with fexofenadine

, 2017
Safaa Sader, Jun Cai, Anna C.G. Muller, Chun Wu   +3 more
openalex   +2 more sources

Computational screening of promising beta-secretase 1 inhibitors through multi-step molecular docking and molecular dynamics simulations - Pharmacoinformatics approach [PDF]

, 2019
Shruti Gupta, D. Parihar, Mokshada Shah, Shivali Yadav, Husain Managori, Shovonlal Bhowmick, Preeti Chunarkar Patil, Siham A. Alissa, Saikh Mohammad Wabaidur, Md Ataul Islam   +9 more
openalex   +1 more source

Structures of Polyhydroxyalkanoate Synthase PhaC from Aeromonas caviae, Producing Biodegradable Plastics

Angewandte Chemie, EarlyView.
PHA synthase (PhaC) is the key enzyme in the polymerization of a biodegradable plastic—polyhydroxyalkanoate (PHA). Structures of full‐length PhaC reveal three key regions essential for substrate specificity and polymerization. Additionally, this study also highlights the critical role of N‐domain‐dependent dimerization in PhaC activity.
Min Fey Chek, Sun‐Yong Kim, Tomoyuki Mori, Keiji Matsumoto, Shunsuke Sato, Toshio Hakoshima   +5 more
wiley   +2 more sources