A novel series of 1,3,5-trisubstituted-2-pyrazoline derivatives (PFC-1 to PFC-16) were synthesized in a three step reaction using conventional and microwave assisted green chemistry approach. The synthesized derivatives were characterized and their chemical structures were established by various physicochemical methods such as IR, Mass, 1H-NMR, 13C-NMR and elemental analysis. The synthesized co...

Objective: The study is focused on evaluating the efficacy of seaweed flavonoids against staphylococcus enterotoxin A. Methods: drug-likeness and pharmacological properties chosen ligand were evaluated using SWISS ADME. AutoDockTools-1.5.6 was used to carry out docking analysis determine binding parameters with molecular modeling. Docking visualization performed discovery studio. Results: bioac...

Abstract: Background: A daunting public health issue that mainly affects women is breast cancer. Resistance to drugs applied in the treatment of this cancer as well their side effects have made it necessary look for new therapeutic agents. Objectives: The study aimed at identification multi-targeted inhibitors molecular targets associated with Methods: We investigated fifteen compounds from Ber...

The COVID-19 pandemic has made the World aware of how crucial development cost-effective and scalable antiviral drugs is. Here we report synthesis caffeine-based 8-[(ferrocenyl)(hydroxy)methyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (FHC), its use as an inhibitor protease (Mpro), essential enzyme for SARS-CoV-2 viral replication. FHC was modelled through density functional theory to ge...

Mosquitoes are exceptionally efficient in detecting their hosts for blood meal using odorant binding proteins, viz. 3N7H and 3Q8I and spread several dreadful diseases. DEET is a synthetic mosquito repellent widely used all over world for protection against mosquito bite. Reports reveal that, synthetic mosquito repellents may pose health problems in considerably large population. In view of the ...

inhibitors of soluble epoxide hydrolase (seh) represent one of the novel pharmaceutical approaches for treating hypertension, vascular inflammation, pain and other cardiovascular related diseases. most of the potent seh inhibitors reported in literature often suffer from poor solubility and bioavailability. toward improving pharmacokinetic profile beside favorable potency, two series of 4-benza...

the present study reports a microwave-assisted method for the synthesis of twelve novel tricyclic 1,4-dihydropyridine derivatives in which dimethyl-substituted cyclohexane and / or tetrahydrothiophene rings are fused to the dhp ring. the structures of the compounds were confirmed by spectral methods and elemental analysis. the potassium channel opening effects of the compounds were determined o...

Objective: The purpose of the research was to implement molecular docking simulation investigate anti-inflammatory capability against thioesterase-2, an essential component inflammatory reaction in humans. Methods: After obtaining three-dimensional structures arthritis ligand and thioesterase-2 protein from IUPHAR/BPS Guide PHARMACOLOGY, PUBCHEM, RCSB PDB databases server, ligands with suitable...