Results 161 to 170 of about 46,324 (245)

Characterization of a novel R98Q mutation that confers resistance to sulfentrazone in common ragweed (Ambrosia artemisiifolia) populations from Michigan

Pest Management Science, EarlyView.
Field‐collected Ambrosia artemisiifolia populations from Michigan, USA, soybean fields exhibited strong resistance to the protoporphyrinogen IX oxidase (PPO)‐inhibiting herbicide sulfentrazone and reduced sensitivity to fomesafen. Target‐site analysis identified a novel Arg‐98‐Gln (R98Q) substitution in PPO2, co‐occurring with the previously reported ...
Sara Álvarez‐Rodríguez, Michael Ozolins, Aimone Porri, Jens Lerchl, Eric Patterson   +4 more
wiley   +1 more source

Limitations of Molecular Docking in Predicting the Selectivity of Selective Androgen Receptor Modulators (SARMs): A Comparative Study of YK11 and Ostarine Across Five Nuclear Receptors. [PDF]

Int J Mol Sci
Mihalev K, Iliev I, Agova N, Toshev N, Georgieva S.   +4 more
europepmc   +1 more source

Dehydrocostus Lactone Suppresses Hepatocellular Carcinoma by Inhibiting Protein Tyrosine Kinase‐7 Mediated β‐Catenin Signaling

Phytotherapy Research, EarlyView.
Schematic summary of the experimentally supported mechanism of DHL in hepatocellular carcinoma. Dehydrocostus lactone (DHL), a sesquiterpene lactone derived from Aucklandia lappa, directly engages protein tyrosine kinase 7 (PTK7), as supported by molecular docking, CETSA, and DARTS assays.
Xiwen Fan, Junhui Li, Yu Qiao, Yuwen Zhong, Xuecheng Ge, Yaoshuai Zhang, Zishu Wang, Feng Qian, Weixin Ren   +8 more
wiley   +1 more source

New insights into HPDL protein: identification of a novel Bi-allelic variant, docking simulation study, and literature review. [PDF]

BMC Med Genomics
Vaghefi F, Khosravi T, Motallebi F, Zarghami S, Al Sudani ZM, Rahimzadeh A, Kowsari A, Sefidbakht Y, Dolatabadi AK, Oladnabi M.   +9 more
europepmc   +1 more source

Betulinic Acid Enema Alleviates Colitis by Targeting Vitamin D Receptor to Protect the Intestinal Mucosal Barrier and Modulate Mucosa‐Associated Microbiota

Phytotherapy Research, EarlyView.
ABSTRACT Ulcerative colitis (UC) is a chronic inflammatory disease of the colon with limited effectiveness and safety of current drug therapies. Betulinic acid (BA) is a naturally occurring pentacyclic triterpenoid present in traditional Chinese medicines used clinically as retention enemas for UC, but its direct effects and mechanisms remain unclear ...
Lina Dong, Yuanxia Gao, Qian Li, Guangxin Chen, Dong Yang, Liping Zhao, Xiaojing Liu, Shumei Lin   +7 more
wiley   +1 more source

SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening. [PDF]

Int J Mol Sci
Choi J.
europepmc   +1 more source

Transcriptome Inference and Systematic Approaches to Investigate TCM Compounds With Beneficial Metabolic Effects

Phytotherapy Research, EarlyView.
ABSTRACT Obesity is a major risk factor for type 2 diabetes. Some traditional Chinese medicine (TCM) compounds can improve obesity by increasing energy consumption. This study aimed to identify and verify TCM compounds that promote adipose thermogenesis to alleviate obesity via transcriptomic analysis, molecular docking, network pharmacology, and ...
Jing Li, Yang‐Chi‐Dung Lin, Hsi‐Yuan Huang, Jihang Chen, Huali Zuo, Yun Tang, Hsien‐Da Huang   +6 more
wiley   +1 more source

Probe-Atom Distributions Obtained from Mixed-Solvent Molecular Dynamics Improve the Scoring of Docking Calculations. [PDF]

J Chem Inf Model
Akaki K, Yanagisawa K, Akiyama Y.
europepmc   +1 more source

Mechanistic Evaluation of Luteolin in Wound Healing of Diabetic Foot Ulcer via Nrf2 Signaling

Phytotherapy Research, EarlyView.
Proposed mechanism by which Luteolin (LU) promotes diabetic foot ulcer healing. LU attenuates hyperglycemia‐induced oxidative stress and lipid peroxidation, improves endothelial cell viability, and suppresses ferroptosis through Nrf2‐dependent antioxidant signaling, thereby accelerating angiogenesis and wound repair. ABSTRACT Diabetic foot ulcers (DFUs)
Muhammed Yusuf, Ayfer Busra Benkli, Ramiz Yusuf   +2 more
wiley   +1 more source

Prediction of drug hypersensitivity by comprehensive modeling of HLA-peptidomes. [PDF]

Brief Bioinform
Zhong Y, Lauschke VM, Wang Y, Zhou Y.
europepmc   +1 more source