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Introduction: N-methyl-d-aspartate receptor (NMDAR) and tau protein play an important role in neuronal death due to cerebral ischemia or ischemic stroke. Unfortunately, no drug has been discovered except tissue plasminogen activator (tPA) to fight against ischemic stroke. Virtual high throughput screening to find out possibilities of bioactive molecules to target NMDAR and tau protein to treat ischemic stroke may be an option for drug discovery. Objective: The current study aimed to assess the molecular interaction of some bioactive molecules with NMDAR and tau protein in silico to incriminate ischemic stroke. Methods: A computational method based on ligand-protein interaction technique has been used in the present study to identify the therapeutic potential of some bioactive molecules for the possible treatment of ischemic stroke. For this purpose, 50 bioactive molecules were screened and docking analysis was performed for two target proteins, NMDAR and tau protein. In this study, for each protein target, the best poses were identified based on binding energy and inhibition constant. Different pharmacological properties of selected bioactive molecules were also analyzed to determine their absorption, distribution, metabolism, excretion and toxicity (ADME/T) properties in silico. All were found in the acceptable range and followed Lipinski’s rule. Results: In the present study of the 50 screened bioactive molecules, top 10 molecules have been identified, of which best two bioactive molecules such as gossypin, viniferin have been predicted to be potential neuroprotective agents against cerebral ischemia induced alteration of NMDAR and tau protein functional integrities. Conclusion: Gossypin’ was the best bioactive compound interacting with NMDAR and tau protein.

SARS-CoV-2 the new strain of SARS corona virus is an RNA virus that inflicts acute respiratory distress syndrome due to infection of the alveolar epithelial cells, its primary target. No effective drug is currently available to treat this viral infection. Therefore, we focused on identifying inhibitors of the main viral protease domain (Mpro) which plays important role in the virus life cycle. Two tired computer-aided drug discovery approach were adopted for screening of novel inhibitors against Mpro, the target protein. First, based on their ADME/T properties, phytochemicals as well as synthetic drugs six compounds were selected from the available database. In second screening by molecular docking based on binding affinity and molecular interactions of these compounds with Mpro led to the identification of the best phytochemical and synthetic compound against Mpro. The result of docking complex showed that, interacting residues for myricetin are continuous while, in case of fosamprenavir, these are non-contiguous. Both molecules interact with the residues in the active site occupying the site for the catalytic activity indicate possible competitive inhibitors of the Mpro.

An electrically-responsive poly (acrylamide)-graft-pullulan (PAAm-g-PLN) copolymer was synthesized in an inert atmosphere using nitrogen gas and was characterized by 1H NMR spectroscopy, FTIR spectroscopy, elemental analysis and thermal analysis. Further, we have developed electrically-responsive transdermal delivery systems (ETDS) utilizing PAAm-g-PLN hydrogel as reservoir for drug and pullulan-poly (vinyl alcohol) films as rate controlling membrane (RCM) for delivery of rivastigmine tartarate through skin. Under no electric stimulation, the drug diffusion through ETDS was small and when electric stimulation was applied, the diffusion rate enhanced to 1.68 folds. The drug permeation tends to get reduced as glutaraldehyde (GA) concentration was increased. On the other hand, the permeation rate was observed to augment under the influence of electric stimulus when increased from 2 to 8 mA. The drug permeation with “on-off” electric stimulus mode showed a quicker permeation of drug when electric stimulus was in ‘on’ mode and it got decreased when electric stimulus turned to ‘off’ mode. The skin histopathology evaluation suggested a reversible alteration in skin structure when electric stimulation was applied. Thus, the novel PAAm-g-PLN electrically-responsive copolymer is an efficient biomaterial for transdermal delivery of drugs actuated by an electric stimulus.

Kimura’s disease is a rare, benign, slow-growing chronic inflammatory swelling with a predilection for the head and neck region and almost always with peripheral blood eosinophilia and elevated serum IgE levels. Here, we report a 14-year-old male patient with left-sided cheek swelling. It was painless swelling situated anterior to left ear, of 1 year duration, without any other symptoms. Routine investigations were inconclusive. Excision biopsy revealed the diagnosis of Kimura’s disease.