Results 71 to 80 of about 107,002 (300)

Exploration of Reaction Pathways and Chemical Transformation Networks

, 2018
For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly.
Reiher, Markus, Simm, Gregor N., Vaucher, Alain C.   +2 more
core   +1 more source

QBP1 Peptide as a Potential Anti‐Amyloidogenic Therapy for Type 2 Diabetes: An In Vitro Study

Advanced Science, EarlyView.
The anti‐amyloidogenic peptide QBP1 effectively halts human islet amyloid polypeptide (hIAPP) aggregation, preventing the formation of toxic β‐structured intermediates. Through a combination of biophysical assays, molecular dynamics, and cell‐based studies, QBP1 is shown to preserve β‐cell viability and metabolic homeostasis, positioning it as a ...
María M. Tejero‐Ojeda, Ada Bernaus Vives, Michał Wojciechowski, Dinh Quoc Huy Pham, Mateusz Chwastyk, Mario Vallejo, Anna Novials, Douglas V. Laurents, Mariano Carrión‐Vázquez   +8 more
wiley   +1 more source

Inhibitor binding mode and allosteric regulation of Na+-glucose symporters. [PDF]

, 2018
Sodium-dependent glucose transporters (SGLTs) exploit sodium gradients to transport sugars across the plasma membrane. Due to their role in renal sugar reabsorption, SGLTs are targets for the treatment of type 2 diabetes.
Althoff, Thorsten, Bisignano, Paola, Friemann, Rosmarie, Ghezzi, Chiara, Grabe, Michael, Jacobson, Matthew P, Jo, Hyunil, Kalyanaraman, Chakrapani, Polizzi, Nicholas F, Wright, Ernest M   +9 more
core   +2 more sources

Discovery of H2 Receptor Antagonists as Colistin Enhancers by Targeting Acid Stress Response

Advanced Science, EarlyView.
This study identifies YqgB as a key target for restoring colistin susceptibility in mcr‐positive pathogens under acidic conditions by remodeling phospholipid composition and reducing LPS modification. Deep learning‐based screening reveals H2 receptor antagonists as novel colistin adjuvants. Further investigations indicate that ranitidine and famotidine
Jinju Cai, Mengping He, Jianya Luo, Shuang Zhou, Tengyue Zhang, Jianing Li, Zhiqiang Wang, Yuan Liu   +7 more
wiley   +1 more source

Network pharmacology and bioinformatics approach to unravel the mechanism of Xiao-chai-hu-tang herbal formula in tinnitus treatment

Heliyon
Background: Tinnitus treatment remains a global challenge, and current therapeutic approaches are still controversial. This study aims to elucidate the potential mechanisms of Xiao-Chai-Hu-Tang (XCHT) in treating tinnitus through the analysis of network ...
Shihan Liu, Xintong Zhou, Lingli Zhang, Wenlong Luo   +3 more
doaj   +1 more source

Studies in molecular modeling, in vitro CDK2 inhibition and antimetastatic activity of some synthetic flavones

Frontiers in Bioscience-Landmark, 2020
Naturally occurring flavonoids have been shown to possess anticancer activity. We have previously shown that certain synthetic flavonoids also exert significant antiproliferative potential in MOLT-4, MCF-7, and HepG2 cell lines. To this end, we evaluated
Ojas S.Wagal, Akshada J. Joshi, Urmila J. Joshi, Heena R. Bhojwani, Khushboo V. Begwani, Harshank A. Dawne, Rajiv P. Gude, Sadhana S. Sathaye, Divya M. Kanchan   +8 more
doaj   +1 more source

Super-resolution imaging and estimation of protein copy numbers at single synapses with DNA-PAINT [PDF]

, 2019
In the brain, the strength of each individual synapse is defined by the complement of proteins present or the "local proteome." Activity-dependent changes in synaptic strength are the result of changes in this local proteome and posttranslational protein
Böger, C., Endesfelder, U., Hafner, A., Heilemann, M., Jungmann, R., Malkusch, S., Schlichthärle, T., Schuman, E., Strauss, M.   +8 more
core   +2 more sources

Functional Analysis of Ligand‐Gated Chloride Channels in a Cnidarian Sheds Light on the Evolution of Inhibitory Signaling

Advanced Science, EarlyView.
We uncover a large variety of putative inhibitory ligand‐gated ion channels (LGICs) in the phylum Cnidaria, the sister group to all bilaterian animals. Phylogenetic analysis suggests a complex evolutionary history of inhibitory LGICs with diverse neurotransmitter ligands.
Abhilasha Ojha, Linda Kloss, Juan D. Montenegro, Simone Albani, Audrey Ortega‐Ramírez, Mihaela Raycheva, Sylvia Joussen, Sabrina Kaul, Michèle Bachmann, Lisa Huf, Günther Schmalzing, Alison G. Cole, Ulrich Technau, Stefan Gründer   +13 more
wiley   +1 more source

Elucidating the monoamine oxidase B inhibitory effect of kaurene diterpenoids from Xylopia aethiopica: An in silico approach.

PLoS ONE
Parkinson disease is a neurogenerative disease common in adults and results in different kinds of memory dysfuntions. This study evaluated the monoamine oxidase B (MAO-B) inhibitory potential of kaurane diterpenoids previously isolated from Xylopia ...
Funmilayo Gladys Famuyiwa, Rajesh B Patil, Samson Oluwaseyi Famuyiwa, Uduak Ime Olayemi, Esther Aina Olanudun, Bhoomendra A Bhongade, Jaiprakash N Sangshetti, Esther Oluwatosin Shalom, Suvarna N Vakare, Mohammed Sakib Musa, Abu Tayab Moin, Mohammad Helal Uddin, Kolade Olatubosun Faloye   +12 more
doaj   +1 more source

Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach

Heliyon
The impact of H. pylori resistance on patient's treatment failure is a major concern. Therefore, the development of novel or alternative therapies for H. pylori is urgently needed.
Alfizah Hanafiah, Siti Nur Arifah Abd Aziz, Zarith Nameyrra Md Nesran, Xavier Chee Wezen, Mohd Fadzli Ahmad   +4 more
doaj   +1 more source