Vijayshri Tekade - Academia.edu (original) (raw)

Papers by Vijayshri Tekade

Letters in Drug Design & Discovery, Apr 28, 2023

Background: SARS-COVID-19 is an infectious disease, the causative agent Caroni virus. WHO announc... more Background: SARS-COVID-19 is an infectious disease, the causative agent Caroni virus. WHO announced the pandemic on 3rd November 2020 to the whole world. Objective: Severe Acute Respiratory Syndrome COVID-19 is an infectious disease globally declared a pandemic by WHO. There is a need to find the proper medication for recovery. The study uses the molecular docking method to predict the anti-covid activity of plant phytoconstituents of Tamarind indica. Methods: Molecular docking techniques were accomplished to search the binding pattern of plant phytoconstituents of T. indica against the crystal structure SARS-CoV-2 enzyme (PDB ID: 6LU7) with the help of PyRx virtual screening software to study the amino acid interaction and inhibitory potential of phytoconstituents of T. indica. In addition, we performed a pharmacokinetic and toxicological study of plant phytoconstituents of T. indica using SwissADME and the pkCSM online server. Results: The phytoconstituents of Plant T. indica docking results proposed that apigenin (-7.8 kcal/mol), epicatechin (-7.1 kcal/mol) and taxifolin (-7.5 kcal/mol) show the best binding energy as compared to favipiravir (-5.2 kcal/mol). The phytoconstituents exposed promising interaction with amino acid residue, leading to an inhibitory effect against the SARS-CoV-2 enzyme (PDB ID: 6LU7). Further, ADMET studies showed that pharmacokinetics and toxicological parameters are within acceptable limits. Conclusion: In silico study revealed that the phytochemicals of T.indica show promising inhibitory results against the SARS-CoV-2 enzyme (PDB ID: 6LU7). Moreover, the traditional benefits of T.indica were clinical treatment and drug discovery.

Chemistry & Biodiversity

A series of twenty compounds (23–42) were synthesized and characterized by spectral studies in or... more A series of twenty compounds (23–42) were synthesized and characterized by spectral studies in order to explore newer antimicrobial compounds. The majority of the synthesized compounds reported significant antimicrobial properties against various pathogenic bacterial and fungal strains with the help of tube dilution method. Significant activities (MIC ranging from 3.9 to 15.62 μg/ml) have been shown against Gram‐negative and Gram‐positive bacteria with. In contrast, moderate to outstanding antibacterial activity was reported versus Gram‐negative bacteria such as E. coli and P. aeruginosa along with Gram‐positive bacteria such as S. aureus and B. subtilis. While antifungal activity was moderate to excellent against two fungus strains (Candida tropicalis, Candida glabrata). Compounds 25 and 34 had the utmost activity versus Gram‐positive and Gram‐negative bacteria too. The antifungal activity of compound 35 was comparable to that of standard. In‐silico Molecular docking evaluations we...

Biosciences Biotechnology Research Asia

ABSTRACT: Background Diabetes is characterized by a metabolic imbalance of blood sugar levels. α-... more ABSTRACT: Background Diabetes is characterized by a metabolic imbalance of blood sugar levels. α-amylase enzyme hydrolyzed starch into glucose units. Current therapy has significant side effects. Current investigation of in silico antidiabetic evaluation of phytoconstituents of Pterocarpus marsupium targeting α-amylase. Methods In silico studies were investigated to determine the binding affinity of phytoconstituents of Pterocarpus marsupium in additional with the crystal structure of α-amylase (PDB ID: 3BC9) with help of Pyrx in autodock vina software. Further, investigate the amino acid interaction residue and impacts on the inhibitory potential of the active phytoconstituents. Additionally, the pharmacokinetics and SwissADME and pkCSM were used as online servers for the toxic effects research. Further, studied the pocket region of amino acid for the binding of phytoconstituents using the Ramachandran plot. Result Molecular docking results proposed that pterostilbenes and liquirti...

Chemistry & Biodiversity, Jun 12, 2023

IntechOpen eBooks, Nov 23, 2022

Pyrazoles have a wide range of applications in medicinal chemistry, drug discovery, agrochemistry... more Pyrazoles have a wide range of applications in medicinal chemistry, drug discovery, agrochemistry, coordination chemistry, and organometallic chemistry. Their popularity has skyrocketed since the early 1990s. Basically, Pyrazole (C 3 H 3 N 2 H) is a simple doubly unsaturated five membered heterocyclic aromatic ring molecule comprising two nitrogen (N) atoms at positions 1-and 2-and three carbon (C) atoms. Pyrazole nucleus is synthesized with various strategies such as multicomponent approach, dipolar cycloadditions, cyclocondensation of hydrazine with carbonyl system, using heterocyclic system and multicomponent approach. A special emphasis is placed on a thorough examination of response processes. Furthermore, the reasons for the increasing popularity of pyrazoles in several fields of science are examined. Pyrazoles have recently been the focus of many techniques, mostly because of how frequently they are used as scaffolds in the synthesis of bioactive chemicals and reactions in various media. The goal of this chapter is to discuss the current developments in synthetic techniques and biological activity related to pyrazole derivatives. The many pharmacological functions of the pyrazole moiety and different synthesis techniques were discussed. This chapter has summarized novel strategies and wide applications of pyrazole scaffold.

Schiff Base in Organic, Inorganic and Physical Chemistry [Working Title]

Schiff bases are the condensation products of primary amines and carbonyl compounds, which are be... more Schiff bases are the condensation products of primary amines and carbonyl compounds, which are becoming more and more significant. Schiff bases are imine or azomethine (–C=N–) functional group containing compounds that are produced through a nucleophile addition process. Excellent chelators called Schiff bases have a place in both qualitative and quantitative analysis of metals in aqueous media. Schiff bases were discovered to be auxiliary scaffolds and adaptable pharmacophore for the creation and production of numerous bioactive leads compounds, and this special quality made them accessible for a wide range of biological applications. Schiff bases exhibit significant biological properties including analgesic, anti-inflammatory, antibacterial, anticonvulsant, anti-tubercular, anticancer, antioxidant, anthelmintic antiglycation, and antidepressant activities. In situ cross-linked hydrogel systems are created using the Schiff bases, which are frequently utilized in coordination, organ...

Biomedical Engineering

Molecular docking is recognized a part of computer-aided drug design that is mostly used in medic... more Molecular docking is recognized a part of computer-aided drug design that is mostly used in medicinal chemistry. It has proven to be an effective, quick, and low-cost technique in both scientific and corporate contexts. It helps in rationalizing the ligands activity towards a target to perform structure-based drug design (SBDD). Docking assists the revealing of novel compound of therapeutic interest, forecasting ligand-protein interaction at a molecular basis and delineating structure activity relationships (SARs). Molecular docking acts as a boon to identify promising agents in emergence of diseases which endangering the human health. In this chapter, we engrossed on the techniques, types, opportunities, challenges and success stories of molecular docking in drug development.

International journal of scientific research in science, engineering and technology, 2018

Current Diabetes Reviews

Background and Aims: Diabetic patients are significantly stimulated by COVID-19 infection. The dr... more Background and Aims: Diabetic patients are significantly stimulated by COVID-19 infection. The dreadful risk of COVID-19 mortality may be affected. In order to preserve precious lives, it is essential to comprehend how diabetes and COVID-19 are related, as well as how to manage diabetes. We aimed to focus on the mechanism, impact, and drug treatment of diabetes in COVID-19 patients. Methods: A comprehensive scrutiny of the published literature in diverse pharmaceutical and medical databases such as Google Scholar, PubMed, Science Direct, DOAJ etc., were successfully conducted and classified accordingly. Results: We discussed the severity of COVID-19 in diabetes patients. A patient with diabetes has a higher risk of COVID-19 mortality by influencing the development and prognosis of the disease. The recommended drugs for diabetes treatment in COVID-19 may reduce COVID-19 mortality. Conclusion: Metabolic syndrome diabetes is a risk factor enhancing the development and diagnosis of covi...

Journal of Medical pharmaceutical and allied sciences, 2021

Empagliflozin (EMPA), chemically known as (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]ox... more Empagliflozin (EMPA), chemically known as (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is an oral anti-diabetic drug used for treating type 2 diabetes mellitus that produces hypoglycemia by selective and competitive inhibition of sodium/glucose co-transporter-2 (SGLT2) protein. Currently, EMPA is an emerging drug being prescribed by medical practitioners. The quality-oriented scheduled investigation of diverse commercially obtainable formulations of EMPA is a foremost challenge and recently few sophisticated analytical methods are reported for industrial-scale quantitative analysis. Review of analytical method of antidiabetic drug Empagliflozin. This interesting review article covered the recently published sophisticated instruments-based analytical methods in numerous pharmaceutical databases like PubMed, Google Scholar, Science Direct, etc. of diverse areas like spectrophotometry (Ultraviolet-Visible), Ultra-high ...

International Journal of Engineering, Feb 1, 2018

Journal of Agricultural and Food Chemistry, 2012

International Research Journal of Pharmacy

Microwave synthesis are attractive in offering reduce pollution, low cost and high yields with sh... more Microwave synthesis are attractive in offering reduce pollution, low cost and high yields with shorter reaction time together with simplicity in processing and handling. In this study, the compounds like β-Resorcylic acid & Benzocaine were synthesized by microwave irradiation. The compounds were synthesized rapidly with more yields as compared to the conventional method. The synthesized compounds were subjected to physico-chemical studies like melting point, TLC, partition coefficients, dissociation constants and % ionization. The structures of synthesized compounds were characterized by UV, FT-IR, MASS and NMR spectroscopy.