A5034898094- Neuroscience and Neuropharmacology Research
- Phytochemicals and Antioxidant Activities
- Coordination Chemistry and Organometallics
- Inorganic and Organometallic Chemistry
- Innovative Microfluidic and Catalytic Techniques Innovation
- Computational Drug Discovery Methods
- Plant biochemistry and biosynthesis
- Monoclonal and Polyclonal Antibodies Research
- Ion Channels and Receptors
- Synthesis and pharmacology of benzodiazepine derivatives
- Beetle Biology and Toxicology Studies
- Cancer therapeutics and mechanisms
- Bioactive Compounds and Antitumor Agents
- Sirtuins and Resveratrol in Medicine
- Protein Structure and Dynamics
- Natural product bioactivities and synthesis
- Postharvest Quality and Shelf Life Management
- HIV Research and Treatment
- Porphyrin and Phthalocyanine Chemistry
- Ion channel regulation and function
- Chemokine receptors and signaling
- Electrochemical Analysis and Applications
- Nanoplatforms for cancer theranostics
- Photodynamic Therapy Research Studies
- Biochemical and biochemical processes
Åbo Akademi University
2020-2024
Islamic Azad University Pharmaceutical Sciences Branch
2013-2018
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug development process. In this review, we give a broad overview of current application possibilities MD discovery and pharmaceutical development. Starting from target validation step process, several examples how studies can important insights into function identified targets such as sirtuins, RAS proteins, or intrinsically disordered proteins. The role antibody design is also reviewed. lead optimization...
Fifteen compounds related to ameltolide with sodium channel inhibitory activity were subjected a molecular docking study. The chemical structures of all built using the program HyperChem and conformational studies performed semiempirical method followed by PM3 method. A study was AutoDock on compounds. To confirm binding mode inhibitors, dynamics simulations GROMACS 4.5.5, based upon docked conformation ameltolide. analyses indicated that these interacted mainly residues II-S6 III-S6 NaV1.2...
Abstract Scots pine knotwood contains valuable amount of stilbenoids such as pinosylvin (Ps) and monomethyl ether (PsMME). The have numerous biological activities. Traditional methods extracting often yield low quantities involve complex processes. In the present study, a simple high-yield method was proposed for extraction from fresh using ethanol taking total three days. addition, impact drying process, time, solvents (acetone ethanol) storage time were evaluated on stilbenoids. increased...
Natural stilbenoids, polyphenolic compounds notably found in Scots pine and Norway spruce, have been shown to exhibit analgesic anti-inflammatory effects through the TRPA1 channel, making them promising hits for development of novel agents treat inflammatory diseases pain. In this study, we computationally investigated putative binding sites natural stilbenoids at channel. Specifically, employed molecular docking MD simulation approaches explore three known ligand TRPA1. Furthermore,...
Stilbenoid compounds have been described to anti-inflammatory properties in animal models vivo, and shown inhibit Ca2+-influx through the transient receptor potential ankyrin 1 (TrpA1).To study how stilbenoid affect inflammatory signaling we utilized fruit fly, Drosophila melanogaster, as a model system. To induce intestinal inflammation fed flies with irritant dextran sodium sulphate (DSS).We found that DSS induces severe changes bacteriome of intestine, this dysbiosis causes activation...
Abstract Stilbenes are plant polyphenols that have shown beneficial pharmacological activities in a variety of diseases. The considerable amount stilbene glucosides spruce inner bark encouraged us to develop straightforward and simple method extraction with high recovery yield. Stilbene from fresh Norway were extracted one step acetone at 20 °C. After three weeks soaking acetone, the extracts dried composition was determined by GC-FID using short long column (HP-5) GC-MS (HP-1). compounds...
In this study, fifteen new 2,5-disubstituted analgouges of phthalimide were designed and synthesized using the appropriate synthetic route to evaluate anticonvulsant activity against Maximal Electroshock (MES) subcutaneous Pentylenetetrazole (scPTZ) compare phenytoin as a positive control. The structures compounds confirmed by FTIR, H-NMR, C-NMR MASS spectroscopy.All tested found be effective in PTZ model at dose 60 mg/kg most showed protection MES test indicative their ability inhibit...
Pinosylvin monomethyl ether (PsMME) is a natural compound known for its valuable bioactive properties, including antioxidant and anti-inflammatory effects. However, PsMME’s susceptibility to photodegradation upon exposure ultraviolet (UV) radiation poses significant limitation applications in the pharmaceutical field. This study, first time, introduces strategy enhance photostability of PsMME by employing various nanoformulations. We utilized mesoporous silica nanoparticles (MSNs) coated...
Transient receptor potential vanilloid (TRPV) 4 is involved in signaling pathways specifically mediating pain and inflammation, making it a promising target for the treatment of various painful inflammatory conditions. However, only one drug candidate targeting TRPV4 has entered clinical trials. To identify inhibitors development, we screened library ion channel-modulating compounds using both structure- ligand-based virtual screening approaches. Since high-resolution experimental structure...
A series of phthalimides related to thalidomide have been studied for analgesic activity in the formalin test. The test was performed mice a nociceptive pattern evaluate activity.In this study, nine derivatives were evaluated terms exerting effects mice. They exerted significant compared indomethacin and negative control. These compounds synthesized characterized by TLC, followed IR H1NMR previous studies. Two distinct periods high licking used analyze both acute chronic pain. All with...