- Nasik, Maharashtra, India
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This exploratory work encompasses synthetic chemistry to develop novel 3, 5- diphenylethanone derivatives compounds based on the medicinally relevant scaffold of pyrazole as that of standard SERM i.e. Tamoxifen and Raloxifene. Specific... more
This exploratory work encompasses synthetic chemistry to develop novel 3, 5- diphenylethanone derivatives compounds based on the medicinally relevant scaffold of pyrazole as that of standard SERM i.e. Tamoxifen and Raloxifene. Specific strategies for the synthesis of novel analogues were used and were subjected to modeling and docking studies for analyzing the ER subtype selectivity. The in-silico studies were conducted in order to attain a better insight into the interactions of these molecules with their target receptor in order to study their subtype selectivity and preferential binding site. The various orientations taken by ligands while binding the estrogen receptor-α were studied over 1ERR (PDB) using Schrodinger Maestro environments. The anti-cancer potential of these derivatives were evaluated in estrogen receptor-positive cell lines in an in vitro assay, exploring MCF-7 and Zr-75-1 cell lines. Amongst all, the derivatives that displaced promising anticancer activity (4-chl...
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Diabetes Mellitus is a leading cause of high mortality rate in the world. Recently, GSK-3β inhibitors showed promising results to treat Diabetes mellitus and several such molecules are in clinical trials. Ethyl... more
Diabetes Mellitus is a leading cause of high mortality rate in the world. Recently, GSK-3β inhibitors showed promising results to treat Diabetes mellitus and several such molecules are in clinical trials. Ethyl 2/3-carboxylate-4/5/6-monosubstituted-1H-indole derivatives were designed with the aim to search new lead molecules. The molecular structures were drawn in ChemBiodraw Ultra© and molecular docking studies were performed by using Schrödinger and AutoDock 1.5.6 software. Few in silico properties such as Log P and toxicity profile were predicted online using SwissADME and PreADMET respectively. Amongst all the designed molecules, few derivatives showed maximum binding affinity in LBD of 6V6L protein. The lipophilic character of the molecules was predicted through their individual Log P Values; molecules with better binding affinities in LBD displayed Log P values of 2.25-3.13. Additionally, some of the designed molecules were subjected to PreADMET for predicting their safety and...
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The present work relates the anti-inflammatory activity of the plant Martynia diandra Glox. Family: Martyniaceae, to its ethanolic extract, tested in both, acute and sub-acute inflammatory processes. Carrageenan-induced rat paw edema and... more
The present work relates the anti-inflammatory activity of the plant Martynia diandra Glox. Family: Martyniaceae, to its ethanolic extract, tested in both, acute and sub-acute inflammatory processes. Carrageenan-induced rat paw edema and cotton pellet induced granuloma were used for the said processes, respectively. The most effective dose of the extract is also mentioned.
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Abstract A series of hetero-substituted sulphonamido-benzamide derivatives which can activate glucokinase (GK) were synthesized and screened in-vitro using Human GK activation assay and in-vivo following oral glucose tolerance test (OGTT)... more
Abstract A series of hetero-substituted sulphonamido-benzamide derivatives which can activate glucokinase (GK) were synthesized and screened in-vitro using Human GK activation assay and in-vivo following oral glucose tolerance test (OGTT) assays. All the molecules were docked into the active site of 1V4S receptor grid by XP docking method utilizing Schrodinger software to assess the binding interactions. Compounds 12 (EC50 = 495 nM) and 15 (EC50 = 522 nM), revealed maximum in-vitro GK activation. Selected compounds were subjected for in-vivo OGTT assay. The data revealed that same compounds 12 (135 mg/dL) showed maximum reduction in blood glucose level followed by compound 15 (142 mg/dL) at 120 min. The docking results as glide score, binding energy and interactions were reported and compounds with maximum pharmacological activity were studied precisely. In-silico ADME parameters, pharmacokinetic properties and toxicity studies were carried out and all compounds were found to have good bioavailability and nontoxic. Overall, the series of hetero-substituted sulphonamido-benzamide hybrids are safe and could be explored further for better therapeutic efficacy as GK activators.
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Selective estrogen receptor modulators (SERMs) are a class of drugs that act on the estrogen receptor (ER). SERMs are used for treatment and reduction of risk of breast cancer. Herewith we had designed, synthesized, and evaluated... more
Selective estrogen receptor modulators (SERMs) are a class of drugs that act on the estrogen receptor (ER). SERMs are used for treatment and reduction of risk of breast cancer. Herewith we had designed, synthesized, and evaluated chalcone-phenylpyran-2-one derivatives bearing a N,N-dimethyl ethylamine side chain for their anti-breast cancer activity on MCF-7 and Zr-75-1 cell lines in-vitro. The pharmacological data indicated that most of tested compounds showed moderate to significant cytotoxicity and high selectivity toward the estrogen receptor. The Structure activity relationaship analyses indicated that compounds 5f with 2,6-dichloro substitution was more effective. Docking study was performed to predict binding orientation towards the estrogen receptor-α.
Research Interests: Chemistry and Proceedings
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Background A small library of quinazolin-4-one clubbed thiazole acetates/acetamides lacking toxicity-producing functionalities was designed, synthesized, and evaluated for antidiabetic potential as glucokinase activators (GKA). Molecular... more
Background A small library of quinazolin-4-one clubbed thiazole acetates/acetamides lacking toxicity-producing functionalities was designed, synthesized, and evaluated for antidiabetic potential as glucokinase activators (GKA). Molecular docking studies were done in the allosteric site of the human glucokinase (PDB ID: 1V4S) enzyme to assess the binding mode and interactions of synthesized hits for best-fit conformations. All the compounds were evaluated by in vitro enzymatic assay for GK activation. Results Data showed that compounds 3 (EC50 = 632 nM) and 4 (EC50 = 516 nM) showed maximum GK activation compared to the standards RO-281675 and piragliatin. Based on the results of the in vitro enzyme assay, docking studies, and substitution pattern, selected compounds were tested for their glucose-lowering effect in vivo by oral glucose tolerance test (OGTT) in normal rats. Compounds 3 (133 mg/dL) and 4 (135 mg/dL) exhibited prominent activity by lowering the glucose level to almost no...
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A simple and robust analytical reversed-phase high-performance liquid chromatography method was developed and validated for simultaneous chromatographic elution of three cardiovascular drugs, namely clopidogrel, aspirin (ASP) and... more
A simple and robust analytical reversed-phase high-performance liquid chromatography method was developed and validated for simultaneous chromatographic elution of three cardiovascular drugs, namely clopidogrel, aspirin (ASP) and atorvastatin. The method was developed in rat plasma and dosage formulation with high-quality chromatographic separation between the drug peaks by using a stainless steel analytical column thermo beta-basic, C18 (25 × 0.46 cm, 5 µm). The system was operated at 25°C using a mobile phase consisting of acetonitrile and phosphate buffer (pH 3.0) in the gradient ratio at a flow rate of 1 mL min(-1) with ultraviolet detection monitored at 232 nm. The parametric statistics, i.e., correlation coefficient of 0.999, was assessed for all the drugs having linearity over the tested concentration range (10-10,000 ng mL(-1)) in rat plasma using an unweighted calibration curve. The accuracy of samples for six replicate measurements at lower limit of quantitation level was ...
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A simple, accurate and precise HPTLC method has been developed for estimation of propranolol hydrochloride from bulk drug and tablet formulations. The separation was achieved on TLC plates using appropriate solvent system. The spots so... more
A simple, accurate and precise HPTLC method has been developed for estimation of propranolol hydrochloride from bulk drug and tablet formulations. The separation was achieved on TLC plates using appropriate solvent system. The spots so developed were densitometrically scanned at 290 nm. The linearity of the method was found to be within the concentration range of 200-2000 ng/spot. The validation parameters, tested in accordance with the requirements of ICH guidelines, prove the suitability of this method. The method was successively applied for determination of drug in tablets, wherein, no interference from tablet excipients was observed.