Results 151 to 160 of about 46,324 (245)

Phytochemical profiling and insecticidal activity of Moricandia sinaica across growth stages: experimental and molecular docking insights

Journal of the Science of Food and Agriculture, EarlyView.
Abstract BACKGROUND Stored food products are highly vulnerable to infestation by insects and mites, resulting in significant postharvest losses worldwide. Plant‐derived bioactive compounds represent promising eco‐friendly alternatives to synthetic pesticides.
Roukia Zatout, Ouided Benslama, Chaima Zatout, Noreddine Kacem Chaouche, Stefania Garzoli   +4 more
wiley   +1 more source

MBind: A Web-Based Platform for Metalloprotein and Nonmetalloprotein Docking with Optional ML Docking Integration. [PDF]

Molecules
Ganesh H, Mada S, Aryal S, Zwa R, Diaz KL, Patel I, Dakshanamurthy S.   +6 more
europepmc   +1 more source

Phytochemical composition and cultivar‐dependent variation in colored lettuce (Lactuca sativa) and their α‐amylase inhibitory activity

Journal of the Science of Food and Agriculture, EarlyView.
Abstract BACKGROUND This study investigated cultivar‐dependent variation in the phytochemical composition of lettuce (Lactuca sativa) using liquid chromatography–tandem mass spectrometry (LC–MS/MS) profiling and high‐performance liquid chromatography (HPLC) quantification, with a focus on enzyme inhibitory activity. RESULTS Significant differences were
Neil Patrick Uy, Hak‐Dong Lee, Sang‐Yun Lee, Hoon Kim, Sanghyun Lee   +4 more
wiley   +1 more source

PL-PatchSurfer3: improved structure-based virtual screening for structure variation using 3D Zernike descriptors. [PDF]

J Cheminform
Shin WH, Kagaya Y, Jang W, Kihara D.
europepmc   +1 more source

Triptolide Suppresses Tongue Squamous Cell Carcinoma Progression via PI3K–AKT Pathway Inhibition: An Integrative Network Pharmacology and Experimental Validation Study

The Kaohsiung Journal of Medical Sciences, EarlyView.
ABSTRACT Tongue squamous cell carcinoma, the most aggressive subtype of oral squamous cell carcinoma, which is associated with high mortality, frequent recurrence, and early lymph‐node metastasis. Triptolide, a bioactive diterpenoid from Tripterygium wilfordii, exhibits broad anticancer activity.
Shan‐Shan Wang, Hong‐Cheng Wei, Lin Jiang, Yi‐Sen Shao   +3 more
wiley   +1 more source

Computational Evaluation of Multitarget Capabilities of Phenylethanoid Glycosides Against SARS-CoV-2's 3CL^pro and PL^pro. [PDF]

Pharmaceuticals (Basel)
Alves Esteves ME, Veiga Andriolo B, Cheohen CFAR, da Fonseca TS, Freire Campos M, Leal CM, Allonso D, Leitão GG, Leitão SG, Leal da Silva M.   +9 more
europepmc   +1 more source

Exploring the Reproductive Toxicity of Bisphenol S Through a Network Toxicology and Molecular Docking Analysis

Pediatric Discovery, EarlyView.
Utilizing network toxicology, molecular docking, and dynamic simulations to investigate the potential reproductive toxicity of bisphenol S (BPS). ABSTRACT The aim of this study was to investigate the potential reproductive toxicity of bisphenol S (BPS) and the related molecular mechanisms through a network toxicology approach.
Siyuan Wang, Yan Fu, Xu Huang, Qitong Guo, Xiangqin Zheng, Shengde Wu, Lianju Shen, Guanghui Wei   +7 more
wiley   +1 more source

Comparative Structure-Based Analysis of Predicted BZD9L1 Binding Modes Across Human Sirtuins. [PDF]

Int J Mol Sci
Tan YJ, Lee YT, Oon CE, Mancera RL.
europepmc   +1 more source

Unsaturated biobased polyesters from bicyclic α‐pinene‐based diols

Polymer International, EarlyView.
We present the synthesis of four biosourced unsaturated polyesters made from chiral terpene‐based diols and esters of renewable diacids. The resulting materials harbor a bicyclic pinene ring in their backbones which leads to enhanced thermal properties while still conferring susceptibility to enzyme hydrolysis for chains having a cis alkene.
Ganapathy Ranjani, Shengwei Sun, Erik Sundén, Diana Bernin, Per‐Olof Syrén   +4 more
wiley   +1 more source

The LiPP Benchmark Set for Modeling Lipid-Protein Complexes: Comparison of Co-Folding and Docking Methods. [PDF]

J Chem Inf Model
Yang LY, Gupta S, Mullininx LN, McShan AC.   +3 more
europepmc   +1 more source