Phyto Binding Energy Database (PBED)

Docking is a method for predicting the preferred orientation of one molecule to another when a ligand and a target bind to form a stable complex. Many Phytochemicals screened against different inhibitors such as “Mpro-Dehydrtectol, Epsilon-viniferin, Peimisine, Gmelanone, and Isocolumbin” against Mpro P. Sharma, at all (2020), and Verdine, Myricitrin against ACE2, 3CL Pro, J. Cheng, Y. Tang at all 2020, R.S. Joshi, at all 2020, which showed significant binding efficacy and stable complex formation and hence could be used a drugs. Furter, Azadirachta indica (Neem), an indigenous medicinal plant has been reported of remarkable antiviral potency against avian influenza virus, bursal disease virus, Newcastle disease virus, group B coxsackievirus, dengue virus type-2, duck plague virus, poliovirus type-1 and bovine herpes virus type-1, N Baildya at all 2021, Neem has been extensively used to treat asthma, cough, fever and diarrhea in Ayurvedic system of medicine; these are the most prevalent symptoms in SARS-CoV-2 infection K Biswas at all 2021. to make it more easer we tried to give an effective database to molecular docking and dynamic simulation research scientist, for that we have collocated many phytochemical compounds with their binding energy, 2d and 3d structure, Molecular formula, Molecular weight, Isomeric SMILES, InChi, Inchi key, IUPIC Name, and 21 other properties, user can direct search the needed compound in the search bar and for future scientist we have provided the registration page for saving and registering the compound with binding energy.