Antimitotic compounds are still one of the most widely used chemotherapeutic anticancer drugs in the clinic today. Given their effectiveness against cancer it is beneficial to continue enhancing these drugs. One way is to improve the bioavailability and efficacy by synthesizing derivatives that reversibly bind to carbonic anhydrase II (CAII) in red blood cells followed by a slow release into th...

Glycogen synthase kinase-3 beta (GSK-3β) is implicated in abnormal hyperphosphorylation of the tau protein and its inhibitors may be a promising therapeutic approach for treating Alzheimer’s disease. Here, series C-glycosylfavone derivatives as GSK-3β was selected to perform two-dimensional quantitative structure activity relationship (2D-QSAR) method docking analysis. The 2D-QSAR model generat...

Neurodegenerative disease is one of the problems faced by postmenopausal women due to estrogen deficiency. Phytoestrogen compounds can be used as an alternative treatment for diseases caused deficiency binding their receptors through receptor (ER) dependent pathway. With in silico studies, this study aims predict how phytoestrogen will stop neurons from dying using ER Genistein, daidzein, glyci...

In this study conformation analysis of seven drugs commonly used in the treatment COVID-19 was performed. The most stable conformers drug molecules were as initial data for docking analysis. Using Cavityplus program, probable active binding sites both apo and holo forms main protease enzyme (Mpro) spike glycoprotein SARSCoV-2 receptors determined. interaction mechanisms 7 FDA approved (arbidol,...

The objectives of present investigation were to evaluate prepared cocrystals fenofibrate and nicotinamide for pre-compression characteristics, docking studies target peroxisome proliferator-activated receptor alpha, performance in tablet dosage form carry out vivo antihyperlipidemic activity. by antisolvent addition method. Docking pure against alpha carried using PyRx (version 0.8) tool, AutoD...

Shorea hemsleyana (King) King ex Foxw is used to treat various ailments in humans. Numerous biological activities have been reported previously. The current study sought identify S. phyto-derived anti-viral compounds against the SARS-CoV-2 main protease gain insight into molecular interactions. In present research, nine obtained from PubChem database are examined via docking. Docking experiment...

A series of 2-(naphthalen-1-yl)-methyl-6-arylimidazo[2,1-b][1,3,4]thiadiazole derivatives was prepared and studied for cytotoxicity against murine leukemia L1210, human cervix carcinoma HeLa, T-lymphocyte CEM cell lines. The preliminary study showed that compounds 5g, 6g, 7a-c, 7e, 8e were more potent among the tested compounds. pharmacokinetic properties all then investigated with FAF-Drugs, a...

The pandemic of COVID-19 disease in the late 2019 resulted massive screening for drug discovery purpose. However, there is still no reports about ability natural products from bacterial group class Actinobacteria as inhibitor. aim this research to identify potential compounds Actinomadura sp., member Actinobacteria, against two receptors protease with PDB ID 6LU7 and 5R7Y. eleven were docked us...