Results 271 to 280 of about 4,190,416 (396)

Graphene and its modifications for enhanced adhesion in dental restoratives: a molecular docking and dynamics study. [PDF]

Sci Rep
Saghiri MA, Saini RS, Kuruniyan MS, Mosaddad SA, Heboyan A.   +4 more
europepmc   +1 more source

Inhibition of RACK1‐Mediated NLRP3 Oligomerization (Active Conformation) Ameliorates Acute Respiratory Distress Syndrome

Advanced Science, EarlyView.
Schematic diagram showing the potential mechanism of bigelovin on the activation of NLRP3 inflammasome Bigelovin may inhibit activated protein C kinase 1 (RACK1) by directly binding with cys168 of RACK1. Bigelovin thus prevents oligomerization of NLRP3 (NLRP3 active conformation) and subsequent assembly of NLRP3 inflammasome, blocking the activation of
Jian Cui, Meng Yang, Chengli Yu, Haidong Zhang, Yuan Gong, Yang Hu, Yue Wang, Qingxin Yuan, An Pan, Jiepin Li, Yaowen Hu, Zecheng Jin, Xuemei Peng, Anyuan Wu, Junwei Wang, Qian Wang, Yinan Zhang, Lihong Hu   +17 more
wiley   +1 more source

Molecular docking analyses on the chemical profile and antioxidant potential of Cakile maritima using GC-MS and HPLC. [PDF]

Sci Rep
Aytar EC, Torunoglu EI, Gümrükçüoğlu A, Durmaz A, Al-Farraj S, Sillanpää M.   +5 more
europepmc   +1 more source

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations [PDF]

, 2010
Noriaki Okimoto, Noriyuki Futatsugi, Hideyoshi Fuji, Atsushi Suenaga, Gentaro Morimoto, Ryoko Yanai, Yosuske Ohno, Tetsu Narumi, Makoto Taiji   +8 more
openalex   +1 more source

Synthetic Lethality of SHP2 and XIAP Suppresses Proliferation and Metastasis in KRAS‐mutant Nonsmall Cell Lung Cancer

Advanced Science, Volume 12, Issue 15, April 17, 2025.
Embelin cotargets SHP2 to disrupt the SHP2/GRB2/SOS complex, inhibiting cancer‐related signaling pathways such as MAPK, (PI3K)/AKT pathway, and XIAP to induce apoptosis signaling pathway, respectively, leading to synthetic lethality in KRAS‐mutant NSCLC cells both in vivo and in vitro.
Nai‐jie Fu, Yu‐wen Sheng, Zhe Fan, Zhao Wu, Ling‐yu Li, Rui‐ying Xi, Xiao‐ke Shi, Guo‐lin Zhang, Fei Wang   +8 more
wiley   +1 more source

Essential Oil of <i>Lippia origanoides</i> Kunth: Nanoformulation, Anticholinesterase Activity, and Molecular Docking. [PDF]

Molecules
Júnior AQDS, Rodrigues GDS, Barroso AS, Figueiredo PLB, Machado FP, Ferreira MA, Fernandes CP, Santos GBD, Mourão RHV.   +8 more
europepmc   +1 more source

Assessing ligand efficiencies using template-based molecular docking and Tabu-clustering on tetrahydroimidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one and-thione (TIBO) derivatives as HIV-1RT inhibitors

, 2008
Nitin S. Sapre, Swagata Gupta, Neelima Sapre   +2 more
openalex   +2 more sources

Inhibition of secreted phospholipases A2 by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations [PDF]

, 2010
Varnavas D. Mouchlis, Victoria Magrioti, Efrosini Barbayianni, Nathan Cermak, Rob Oslund, Thomas Mavromoustakos, Michael H. Gelb, George Kokotos   +7 more
openalex   +1 more source

Engineering Yarrowia lipolytica to Enhance the Production of Malonic Acid via Malonyl‐CoA Pathway at High Titer

Advanced Science, Volume 12, Issue 12, March 27, 2025.
The non‐conventional oleaginous yeast Y. lipolytica has been genetically engineered to produce malonic acid via malonyl‐CoA pathway through introducing an efficient malonyl‐CoA hydrolase. Advanced metabolic engineering and optimization of fermentation conditions resulted in a malonic acid production yield of 19.1 g L−1 in shaking‐flasks.
Qun Yang, Mengzhen Tian, Ping Dong, Yunying Zhao, Yu Deng   +4 more
wiley   +1 more source

Discovering New Tyrosinase Inhibitors by Using In Silico Modelling, Molecular Docking, and Molecular Dynamics. [PDF]

Pharmaceuticals (Basel)
OréMaldonado KA, Cuesta SA, Mora JR, Loroño MA, Paz JL.   +4 more
europepmc   +1 more source