Results 71 to 80 of about 6,028,998 (307)

PKD1 3D Structure Model and Docking Studies for New PKD Inhibitors [PDF]

, 2013
Protein kinase Ds (PKDs) are diacylglycerol (DAG)-regulated serine/threonine protein kinases. In intact cells, PKDs are key mediators in cellular processes pertaining to multiple diseases, including cancer, heart diseases, angiogenesis and immune ...
Xu, Qi
core  

in Silico Docking and Molecular Dynamic Simulation of 3-Dehydroquinate Dehydratase from Mycobacterium Tuberculosis Through Virtual Screening and Pharmacokinetics Studies [PDF]

, 2020
The 3-hydroquinate synthase (DHQase) is an enzyme that catalyzes the third step of the shikimate pathway in Mycobacterium tuberculosis (MTB), by converting 3-dehydroquinate into 3-dehydroshikimate.
Muhammad M, Ibrahim, Mustafa, Alhaji Isa
core   +1 more source

Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking [PDF]

Advances in Bioinformatics, 2016
The increasing resistance to anti-tb drugs has enforced strategies for finding new drug targets againstMycobacterium tuberculosis(Mtb). In recent years enzymes associated with the rhamnose pathway in Mtb have attracted attention as drug targets. The present work is onα-D-glucose-1-phosphate thymidylyltransferase (RmlA), the first enzyme involved in the
Neeruganti Harathi, Madhusudana Pulaganti, Chevva Moremmagai Anuradha, Suresh Kumar Chitta   +3 more
openaire   +2 more sources

In Vivo Monitoring of Thrombo‐Inflammatory Biomarkers via Molecularly Imprinted Polymer‐Integrated Hydrogel Microneedles

Advanced Materials, EarlyView.
A wearable electrochemical microneedle patch integrates Prussian Blue redox transduction with molecularly imprinted polymer recognition for reagent‐free sampling and detection of thrombo‐inflammatory biomarkers in dermal interstitial fluid. The platform tracks thrombin and inflammatory cytokines with sensitive in vitro, ex vivo, and in vivo performance,
Mahmoud Ayman Saleh, Peyman GhavamiNejad, Arash Khorrami Jahromi, Sanjana Srikant, Sripadh Guptha Yedire, Fatemeh Keyvani, Roozbeh Siavash Moakhar, Sajad Shiekh, Mackenzie Graham, Joe Quadrilatero, Mahla Poudineh, Sara Mahshid   +11 more
wiley   +1 more source

FitDockApp: a Graphical User Interface Plugin for Template-based Docking With PyMOL

Shengwu huaxue yu shengwu wuli jinzhan
ObjectiveMolecular docking plays a critical role in predicting binding modes and affinity between molecules, serving as a pivotal method in structural biology and computer-aided drug design research.
WANG You-Jun, YANG Yu-Chan, LIU Yang, XIAO Zhi-Xiong, CAO Yang   +4 more
doaj   +1 more source

CoMFA, Molecular Docking and Molecular Dynamics Studies on Cycloguanil Analogues as Potent Antimalarial Agents

Indonesian Journal of Chemistry, 2020
Malaria is a disease that commonly infects humans in many tropical areas. This disease becomes a serious problem because of the high resistance of Plasmodium parasite against the well-established antimalarial agents, such as Artemisinin.
Isman Kurniawan, Muhammad Salman Fareza, Ponco Iswanto   +2 more
doaj   +1 more source

Microfluidic Droplet Plate Preserving Single Human Induced Pluripotent Stem Cell‐Derived Cardiomyocytes Morphology and Function

Advanced Materials Technologies, EarlyView.
We introduce a novel method combining microfluidics, optogenetics, and human induced pluripotent stem cell (iPSC) technology to encapsulate single iPSC‐derived cardiomyocytes (iPSC‐CMs) in an optimal environment for functional characterization. This method enables direct genotype‐phenotype correlation for genetic studies and high‐throughput screening ...
Xiao‐Ting Wang, Rachel P. White, Yashasvi Tharani, Michael A. Finocchiaro, Leona M. Ripple, Maksymilian Prondzynski, Tania Konry, Vassilios J. Bezzerides   +7 more
wiley   +1 more source

Molecular Docking and Molecular Dynamics Simulation to Predict Inhibitors Against HIV Envelope 1 Protein [PDF]

HIV (human immunodeficiency virus) is a virus that attacks the immune system, which serves as the body’s defense mechanism. If untreated, HIV can lead to AIDS (acquired immunodeficiency syndrome), which raises risk for a host of problems, especially ...
Mustafa, Arif, Gaurav, Sharma
core   +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