Results 211 to 220 of about 4,323,150 (379)

Vibrational Spectral (Ft-Ir, Ft-Raman) Analysis, Elf, Lol, Fukui, Herbicide Likeness and Molecular Docking Studies of Phenoxyacetic Acid Herbicides - a Comparative Study

, 2023
K Karpagavalli, Daisy Magdaline, T. Chithambarathanu, P P Vijaya   +3 more
openalex   +1 more source

Protein Language Model‐Guided Engineering of a 2,3‐Butanediol Dehydrogenase for the Enantioselective Synthesis of Cyclic α‐Hydroxy Ketones

Advanced Science, EarlyView.
A (2R,3R)‐butanediol dehydrogenase from Bacillus subtilis (BsBDH) is engineered for the enantioselective synthesis of 2‐hydroxycyclohexanone. A PASS computational design strategy is proposed to enhance the thermostability of BsBDH. Moreover, ESM‐1v combined with ISM is utilized for enhancing and inverting its stereoselectivity.
Haote Ding, Ling Jiang, Yijia Song, Zhongji Pu, Lirong Yang, Haoran Yu   +5 more
wiley   +1 more source

A hardware demonstration of a universal programmable RRAM-based probabilistic computer for molecular docking. [PDF]

Nat Commun
He Y, Hong MC, Ding Q, Lin CS, Lai CM, Fang C, Gong X, Hou TH, Liang G.   +8 more
europepmc   +1 more source

Revealing the potential bioactive components and mechanism of Qianhua Gout Capsules in the treatment of gouty arthritis through network pharmacology, molecular docking and pharmacodynamic study strategies [PDF]

Gelin Xiang, Luyin Yang, Jing Qin, Shaohui Wang, Yi Zhang, Sijin Yang   +5 more
openalex   +1 more source

Bioinformatic and Molecular Docking Study of Zerumbone and Its Derivates against Colorectal Cancer

, 2023
Riri Fauziyya, Winni Nur Auli, Nisa Yulianti Suprahman, Sarmoko Sarmoko, Arif Ashari, Kalista Alsadila, Lanita Agustin, Safia Fazila, Miralda Zahra, Esteria Christina Pane, Sukrasno Sukrasno   +10 more
openalex   +2 more sources

Discovery of a Novel and Potent Kir4.1 Inhibitor as a Safe and Rapid‐Onset Antidepressant Agent in Mice

Advanced Science, EarlyView.
The preferred derivative JX3212 demonstrates strong inhibitory activity against Kir4.1 with favorable druggability and shows significant antidepressant efficacy in vivo. Abstract Major depressive disorder is a serious psychiatric disorder for which novel and fast‐acting antidepressants are required.
Sisi Wang, Xiaoyu Zhou, Mengdan Li, Chao Zhang, Haiyan Xu, Jingyi He, Li Zhan, Yueling Gu, Hao Gu, Tianyu Tu, Hanfang Liu, Taotao Lu, Yueming Zheng, Jian Li, Zhaobing Gao, Yixiang Xu   +15 more
wiley   +1 more source

Docking Molecular Study, Pharmacokinetics Profile and Toxicity Prediction of Basil Plant (Ocimum basillicum) Compounds as Isocitrates Dehydrogenase Inhibitor

, 2023
Fitril Imani, Yusnita Rifai, Herlina Rante, Ansari Masri, Andri Anugrah Pratama, Musabbiha   +5 more
openalex   +2 more sources

Morphological and Hyperphosphorylation Transitions of Nanoscale Tau Aggregates in Alzheimer's Disease

Advanced Science, EarlyView.
Super‐resolution microscopy identifies nano‐sized tau aggregates (nano‐aggregates) and reveals distinct transitions in their morphology and phosphorylation profiles across control, Primary Age‐Related Tauopathy, and Alzheimer's disease brains. Morphology and hyperphosphorylation signatures distinguish physiological from pathological forms, with nano ...
Adriana N. Santiago‐Ruiz, Siewert Hugelier, Gabriela L. Correa, Charles R. Bond, Edward B. Lee, Melike Lakadamyali   +5 more
wiley   +1 more source

Molecular docking and pharmacokinetics of benzimidazole-based FtsZ inhibitors for tuberculosis. [PDF]

Sci Rep
Sonwane PN, Kumbhare MR.
europepmc   +1 more source

Molecular Docking of Interaction between D7 Protein from the Salivary Gland of Aedes aegypti and Leukotriene A₄ for Developing Thrombolytic Agent [PDF]

Syubbanul Wathon, Rike Oktarianti, Kartika Senjarini   +2 more
openalex   +1 more source