Gurmeet kaur - Academia.edu (original) (raw)

Papers by Gurmeet kaur

Research paper thumbnail of Kinetic Studies in the Oxidation of 2-aryl-3-Hydroxychromenones Using Sodium Hypochlorite (NaOCl) as an Oxidant

Book Publisher International (a part of SCIENCEDOMAIN International), Feb 7, 2022

Research paper thumbnail of Synthesis and studies of new purines/pyrimidine derivatives as multi-targeted agents involving various receptor sites in the immune system

Molecular Diversity, Feb 28, 2023

Pro-inflammation, which is developed due to the increased production of cytokines, mainly interle... more Pro-inflammation, which is developed due to the increased production of cytokines, mainly interleukin-6 (IL-6), during the working of immune system pathways, becomes a major concern these days for many researchers. So, it is desired to design, screen, and synthesize new molecules with multi-parametric features showing their efficacy for Toll-like receptors (TLRs) and inhibiting the disease-causing receptor sites like viral infections, cancers, etc. along with controlling inflammation, fever, and other side effects during such pathways. Further, looking at the literature, curcumin a multi-targeted agent is showing its efficiency toward various receptor sites involved in many diseases as mentioned above. This fascinated us to build up new molecules which behave like curcumin with minimum side effects. In silico studies, involving ADMET studies, toxicological data, and docking analyses, of newly synthesized compounds (3-5) along with tautomers of curcumin i.e., (1-2), and some reported compounds like 9 and 10 have been studied in detail. Great emphasis has been made on analyzing binding energies, protein-ligand structural interactions, stabilization of newly synthesized molecules against various selected receptor sites using such computational tools. Compound 3 is the most efficient multifunctional agent, which has shown its potential toward most of the receptor sites in docking analysis. It has also responded well in Molecular dynamics (MD) simulation toward 5ZLN, 4RJ3, 4YO9, 4YOJ, and 1I1R sites. Finally, studies were extended to understand in vitro anti-inflammatory activity for particularly compound 3 in comparison to diclofenac and curcumin, which signifies the efficiency of compound 3.

Research paper thumbnail of New insights of structural activity relationship of curcumin and correlating their efficacy in anticancer studies with some other similar molecules

American Journal of Cancer Research, Aug 15, 2021

Recently, Cancer is the widespread category of different diseases in human beings, and its progre... more Recently, Cancer is the widespread category of different diseases in human beings, and its progress is linked with a number of factors such as estrogen level, diet, hereditary etc. Curcumin is a naturally occurring compound which appears to be significant clinical for applications in vitro as well as in vivo studies. Many of the research groups have been paying attention towards natural products for the development of anticancer drugs. Curcumin, Rosmarinic acid and Chalcone are the naturally occurring compounds, which are chemopreventive and chemotherapeutic. In present review the anticancer activity of curcumin and similar analogues in vitro has been discussed on the basis of inhibitory concentration (IC50). Also this data is compared with the inhibitory concentration of chalcone, its derivatives and rosmarinic acid.

Research paper thumbnail of Investigating multifaceted action of ibuprofen derivatives towards cox isozymes and interleukin-6 (IL-6) site correlating with various target sites

Journal of Biomolecular Structure & Dynamics, May 8, 2023

Research paper thumbnail of Switching of newly synthesized linker-based derivatives of non-steroidal anti-inflammatory drugs toward anti-inflammatory and anticancer activity

Bioorganic Chemistry, Apr 1, 2023

Research paper thumbnail of Theoretical molecular predictions and antimicrobial activities of newly synthesized molecular hybrids of norfloxacin and ciprofloxacin

Journal of Heterocyclic Chemistry, 2019

Antibiotics such as norfloxacin and ciprofloxacin are used to treat numerous bacterial infections... more Antibiotics such as norfloxacin and ciprofloxacin are used to treat numerous bacterial infections. The present research work involves the molecular prediction, synthesis, characterization and in vitro antimicrobial activities of molecular hybrids of norfloxacin and ciprofloxacin. First set of compounds involve the substitutions of various amines at third position of ciprofloxacin and norfloxacin. On the other hand, second set of molecular hybrids include the substitution of different amines at seventh position along with linker (─COCH2─). These synthesized compounds were identified by TLC technique and well characterized by various spectroscopic techniques such as IR, NMR, and ESI‐MS. Molecular prediction of these newly synthesized compounds have been carried out using the SwissADME, ADMETLab software. Their cytotoxicity parameters have also been studied using Osiris software. It was observed that almost all these molecular hybrids suitable for their drug likeness properties. Furthe...

Research paper thumbnail of Kinetic Studies in the Oxidation of 2-aryl-3-Hydroxychromenones Using Sodium Hypochlorite (NaOCl) as an Oxidant

Book Publisher International (a part of SCIENCEDOMAIN International), Feb 7, 2022

Research paper thumbnail of Synthesis and studies of new purines/pyrimidine derivatives as multi-targeted agents involving various receptor sites in the immune system

Molecular Diversity, Feb 28, 2023

Pro-inflammation, which is developed due to the increased production of cytokines, mainly interle... more Pro-inflammation, which is developed due to the increased production of cytokines, mainly interleukin-6 (IL-6), during the working of immune system pathways, becomes a major concern these days for many researchers. So, it is desired to design, screen, and synthesize new molecules with multi-parametric features showing their efficacy for Toll-like receptors (TLRs) and inhibiting the disease-causing receptor sites like viral infections, cancers, etc. along with controlling inflammation, fever, and other side effects during such pathways. Further, looking at the literature, curcumin a multi-targeted agent is showing its efficiency toward various receptor sites involved in many diseases as mentioned above. This fascinated us to build up new molecules which behave like curcumin with minimum side effects. In silico studies, involving ADMET studies, toxicological data, and docking analyses, of newly synthesized compounds (3-5) along with tautomers of curcumin i.e., (1-2), and some reported compounds like 9 and 10 have been studied in detail. Great emphasis has been made on analyzing binding energies, protein-ligand structural interactions, stabilization of newly synthesized molecules against various selected receptor sites using such computational tools. Compound 3 is the most efficient multifunctional agent, which has shown its potential toward most of the receptor sites in docking analysis. It has also responded well in Molecular dynamics (MD) simulation toward 5ZLN, 4RJ3, 4YO9, 4YOJ, and 1I1R sites. Finally, studies were extended to understand in vitro anti-inflammatory activity for particularly compound 3 in comparison to diclofenac and curcumin, which signifies the efficiency of compound 3.

Research paper thumbnail of New insights of structural activity relationship of curcumin and correlating their efficacy in anticancer studies with some other similar molecules

American Journal of Cancer Research, Aug 15, 2021

Recently, Cancer is the widespread category of different diseases in human beings, and its progre... more Recently, Cancer is the widespread category of different diseases in human beings, and its progress is linked with a number of factors such as estrogen level, diet, hereditary etc. Curcumin is a naturally occurring compound which appears to be significant clinical for applications in vitro as well as in vivo studies. Many of the research groups have been paying attention towards natural products for the development of anticancer drugs. Curcumin, Rosmarinic acid and Chalcone are the naturally occurring compounds, which are chemopreventive and chemotherapeutic. In present review the anticancer activity of curcumin and similar analogues in vitro has been discussed on the basis of inhibitory concentration (IC50). Also this data is compared with the inhibitory concentration of chalcone, its derivatives and rosmarinic acid.

Research paper thumbnail of Investigating multifaceted action of ibuprofen derivatives towards cox isozymes and interleukin-6 (IL-6) site correlating with various target sites

Journal of Biomolecular Structure & Dynamics, May 8, 2023

Research paper thumbnail of Switching of newly synthesized linker-based derivatives of non-steroidal anti-inflammatory drugs toward anti-inflammatory and anticancer activity

Bioorganic Chemistry, Apr 1, 2023

Research paper thumbnail of Theoretical molecular predictions and antimicrobial activities of newly synthesized molecular hybrids of norfloxacin and ciprofloxacin

Journal of Heterocyclic Chemistry, 2019

Antibiotics such as norfloxacin and ciprofloxacin are used to treat numerous bacterial infections... more Antibiotics such as norfloxacin and ciprofloxacin are used to treat numerous bacterial infections. The present research work involves the molecular prediction, synthesis, characterization and in vitro antimicrobial activities of molecular hybrids of norfloxacin and ciprofloxacin. First set of compounds involve the substitutions of various amines at third position of ciprofloxacin and norfloxacin. On the other hand, second set of molecular hybrids include the substitution of different amines at seventh position along with linker (─COCH2─). These synthesized compounds were identified by TLC technique and well characterized by various spectroscopic techniques such as IR, NMR, and ESI‐MS. Molecular prediction of these newly synthesized compounds have been carried out using the SwissADME, ADMETLab software. Their cytotoxicity parameters have also been studied using Osiris software. It was observed that almost all these molecular hybrids suitable for their drug likeness properties. Furthe...