Results 31 to 40 of about 25,555 (231)

Targeting Monoamine Oxidase B for the Treatment of Alzheimer’s and Parkinson’s Diseases Using Novel Inhibitors Identified Using an Integrated Approach of Machine Learning and Computer-Aided Drug Design

Mathematics, 2023
Neurological disorders are disorders characterized by progressive loss of neurons leading to disability. Neurotransmitters such as nor-adrenaline, dopamine, and serotonin are partially regulated by the enzyme monoamine oxidase (MAO).
Arif Jamal Siddiqui, Sadaf Jahan, Maqsood Ahmed Siddiqui, Andleeb Khan, Mohammed Merae Alshahrani, Riadh Badraoui, Mohd Adnan   +6 more
doaj   +1 more source

Targeting the GPX4–FUNDC1 Interaction with Magnesium Lithospermate B Attenuates Sepsis‐Associated Lung Injury

Advanced Science, EarlyView.
The diagram depicts the endothelial‐protective mechanism of magnesium lithospermate B (MLB) in sepsis‐associated lung injury. MLB binds GPX4 at Gly79, disrupts its interaction with FUNDC1, prevents mitophagy‐mediated GPX4 degradation, restores mitophagic flux, reduces ROS, and limits ferroptosis.
Zhixi Li, Chang Liu, Zhaoxue Ma, Dongyou Zheng, Renkai Wang, Yongjing Yu, Guangmin Chen, Chenglong Li, Yue Bu, Hang Cao, Bing Zhang   +10 more
wiley   +1 more source

On the Discorhabdins Leading to the Aleutianamine Ring System: A One‐Step in Situ Transformation Characterized Through Computational and Experimental Studies and Its Implications on Biosynthesis, Synthesis, and Pharmacology

Angewandte Chemie, EarlyView.
The thiocarbenium ion rearrangement of 3‐dihydrodisorhabdin B greatly increases the recovery of aleutianamine from Latrunculia spp., a pyrroloiminoquinone natural product with potent activity against drug‐resistant cancers, collected from the deep‐ocean along the Aleutian Islands.
Cody F. Dickinson, Abhay Potluri, Alison M. Bland, Samuel M. Flipse, George S. Hanna, Ryan T. Wagner, Keith D. Robertson, Thai H. Ho, Daniel J. Sprague, Gerald R. Hoff, Robert P. Stone, Marcus A. Tius, Dean J. Tantillo, Mark T. Hamann   +13 more
wiley   +2 more sources

DOTA‐grafted Cationic Polymers Behaving as Powerful Macromolecular Resistance‐reversal Agents (MRRAs) Combating Against New Delhi Metallo‐β‐lactamase (NDM)‐producing Bacteria

Advanced Science, EarlyView.
Two macromolecular resistance‐reversal agents (MRRAs)—linear (MRRAL) and nanostructured (MRRAN) polymers were fabricated by integrating DOTA motifs into tunable polycationic scaffolds. MRRAs exhibit superior antibacterial potency once combined with meropenem (MEM) through (i) bacterial membrane disruption via localized cationic charge and ...
Ruixue Wang, Jian Zhang, Yun li, Liping Qiao, Zhuorui Dong, Dandan Cui, Peirong Bai, Liping Li, Bing Cao, Ruiping Zhang   +9 more
wiley   +1 more source

NiH‐Catalyzed Enantioconvergent α‐Alkenylation of Carbonyl Compounds via Markovnikov Alkyne Hydronickellation

Angewandte Chemie, EarlyView.
A NiH‐catalyzed α‐alkenylation via Markovnikov hydronickellation of alkynes enables convenient access to α‐chrial β‐methylene carbonyl frameworks that are prevalent in biorelevant molecules. High regio‐ and enantioselectivities have been achieved with excellent functional group tolerance and applicability toward complex structures. The β‐methylene unit
Hyeontaek Nam, Seji Jang, Dongwook Kim, Sangwon Seo   +3 more
wiley   +2 more sources

Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of Curcuma longa as Potential Lead Inhibitors of ERBB and VEGFR-2 for the Treatment of Colorectal Cancer

Molecules, 2023
The newly FDA-approved drug, Axitinib, is an effective therapy against RTKs, but it possesses severe adverse effects like hypertension, stomatitis, and dose-dependent toxicity.
Syeda Abida Ejaz, Mubashir Aziz, Mohamed Fawzy Ramadan, Ammara Fayyaz, Muhammad Sajjad Bilal   +4 more
doaj   +1 more source

Nanotherapeutic Macrophage‐Neuro Reprogramming Through Immunometabolic Crosstalk Mitigates Sepsis‐Induced Lung Injury and Neurologic Damage

Advanced Science, EarlyView.
SJNPs co‐deliver JHU083 and spermine to reprogram macrophage–neuron immunometabolic crosstalk in sepsis. By suppressing pro‐inflammatory M1 polarization and promoting NGF‐mediated neurotrophic signaling, SJNPs preserve pulmonary neuronal integrity, alleviate lung injury, and improve survival in murine sepsis models.
Wenhui Wang, Yongrui Hai, Xintong Lu, Ye Chen, Bingjie Zhang, Renming Fan, Jiarui Dou, Jiaxin Yan, Shuo Fu, Wen Zhang, Junke Song, Gaofei Wei   +11 more
wiley   +1 more source

Knowledge-guided diffusion model for 3D ligand-pharmacophore mapping

Nature Communications
Pharmacophores are abstractions of essential chemical interaction patterns, holding an irreplaceable position in drug discovery. Despite the availability of many pharmacophore tools, the adoption of deep learning for pharmacophore-guided drug discovery ...
Jun-Lin Yu, Cong Zhou, Xiang-Li Ning, Jun Mou, Fan-Bo Meng, Jing-Wei Wu, Yi-Ting Chen, Biao-Dan Tang, Xiang-Gen Liu, Guo-Bo Li   +9 more
doaj   +1 more source

Profiling the Antidiabetic Potential of Compounds Identified from Fractionated Extracts of Entada africana toward Glucokinase Stimulation: Computational Insight

Molecules, 2023
Glucokinase plays an important role in regulating the blood glucose level and serves as an essential therapeutic target in type 2 diabetes management. Entada africana is a medicinal plant and highly rich source of bioactive ligands with the potency to ...
Sunday Amos Onikanni, Bashir Lawal, Valens Munyembaraga, Oluwafemi Shittu Bakare, Muhammad Taher, Junaidi Khotib, Deny Susanti, Babatunji Emmanuel Oyinloye, Lloyd Noriega, Ayodeji Famuti, Adewale Oluwaseun Fadaka, Basiru Olaitan Ajiboye   +11 more
doaj   +1 more source

Targeted Degradation of eEF2K by a Structure‐Guided PROTAC Strategy for the Treatment of Triple‐Negative Breast Cancer

Advanced Science, EarlyView.
This study developed an eEF2K‐targeting PROTAC, A6, that efficiently degrades eEF2K in TNBC cells, inhibiting tumor growth in vitro and in vivo. To enhance tumor‐specific delivery, we engineered A6@ZIF‐8, a pH‐sensitive nanocarrier, which improved drug accumulation at tumor sites, offering a promising therapeutic strategy for TNBC through targeted ...
Shijun Cao, Changxin Zhong, Shilong Jiang, Yungui Li, Yang Xi, Mingxuan Xiao, Ting Jiang, Xiaoya Wan, Zonglin Chen, Xiaohui Yu, Yan Cheng   +10 more
wiley   +1 more source