Journal of Medicinal and Chemical Sciences

QSAR Modeling, Molecular Docking, and ADME Studies of Novel 5-Oxo- Imidazoline Derivatives as Anti-Breast Cancer Drug Compounds against MCF-7 Cell Line

Yellasubbaiah N; Velmurugan V

Volume 6, Issue 12 , December 2023, , Pages 3087-3112

https://doi.org/10.26655/JMCHEMSCI.2023.12.24

Abstract

Thirty-six (36) new 5-oxo-imidazoline derivatives were studied using Insilco modeling against MCF-7 breast cancer cell lines. This research included QSAR, molecular docking, and pharmacokinetic ... Read More

Design, Synthesis, Characterization, and Study of in vitro Antioxidant Activity of Some Substituted Biginelli Derivatives

Abdul Lathiff M.K.M; Suresh Ramalingam; Senthamarai Rajagopalan

Volume 6, Issue 10 , October 2023, , Pages 2432-2448

https://doi.org/10.26655/JMCHEMSCI.2023.10.18

Abstract

The Biginelli class of 3,4-dihydropyrimidinone (DHPM) or its thione (DHPMT) derivatives can act as an exciting pharmacophoric moiety, which in turn has attracted the extensive attention ... Read More The Biginelli class of 3,4-dihydropyrimidinone (DHPM) or its thione (DHPMT) derivatives can act as an exciting pharmacophoric moiety, which in turn has attracted the extensive attention of medicinal chemists in the last few decades. Similarly, imidazolidin-4-one also occupies an inevitable place in drug discovery chemistry. Despite numerous diverse pharmacologic effects ascribed to these two derivatives together being reported, there are few reports on the antioxidant evaluation of the Biginelli class of pyrimidinone derivatives annexed to imidazolidinone by an amide bond. In this study, the synthesis of 20 novel 3,4-dihydropyrimidinones with imidazolidin-4-one derivatives is described. The physical characteristics of the synthesized 3,4-DHPM and DHPMT derivatives were determined and analytically characterized by various spectral tools like FT-IR, Lc-Ms/Ms, and proton and carbon NMR. The scavenging radical potential for the synthesized 20 novel Biginelli derivatives was assessed using the DPPH assay. The results indicated that all the tested compounds had good to excellent antioxidant potency in comparison to the standard drug ascorbic acid. The synthesized compounds 1, 6, 8, 9, 14, 15, 16, 17, 18, and 19 showed a good degree of scavenging potency. Interestingly, remarkable activity was observed with compounds 16, 17, and 19. The present study reveals that not only the compounds with an OH group can exhibit a high degree of scavenging potency, but other groups like -OCH3, –CH3, and -Cl can also exhibit activity effectively. In addition, the radical scavenging potential for the studied compounds could be due to either the presence of more than one labile hydrogen atom attached to a nitrogen atom or the conjugated system, i.e. the 3,4-dihydropyrimidinone ring attached to an amide linkage, present in these compounds, which would have further sponsored the compound to get stabilized when these compounds become radicals by donating an electron to ROS.

Qsar and Docking Studies of New Triazolopiperazine Derivatives as Potent Hypoglycemic Candidates

Swarna Bharathi Kalli; Velmurugan Vadivel

Volume 6, Issue 7 , July 2023, , Pages 1598-1613

https://doi.org/10.26655/JMCHEMSCI.2023.7.11

Abstract

Dipeptidyl peptidase 4 (DPP-4) inhibition is a promising therapy for type 2 diabetes. Inhibition of DPP-4 limits the breakdown of glucagon-like peptide 1 (GLP-1), hence increasing functional ... Read More

Evaluation of 2(3H)-Benzoxazolone Derivatives Containing Piperidine Substituents as Cytotoxic and Apoptotic Agents: An in vitro and in silico Study

Emine Erdag

Volume 6, Issue 3 , March 2023, , Pages 569-579

https://doi.org/10.26655/JMCHEMSCI.2023.3.14

Abstract

To create chemical structures with various pharmacological actions, heterocyclic compounds play a key role as pharmacophores. The pharmacological effects of derivatives of 2(3H)-benzoxazolone ... Read More

Designing and Synthesis of Some Transition Metal Complexes Derived from Schiff Bases for Anti-Bacterial Activity

Munusamy Jambulingam; Subramaniamn Ananda Thangadurai; Manickam Vijayabaskaran

Volume 5, Issue 1 , January and February 2022, , Pages 10-18

https://doi.org/10.26655/JMCHEMSCI.2022.1.2

Abstract

Condensation of salicylaldehyde with D-alanine and L-serine was carried out to obtain Schiff bases and treated with various metal chlorides to form metal complex derivatives. The metals ... Read More

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Main Subjects = Pharmaceutical chemistry

QSAR Modeling, Molecular Docking, and ADME Studies of Novel 5-Oxo- Imidazoline Derivatives as Anti-Breast Cancer Drug Compounds against MCF-7 Cell Line

Abstract

Design, Synthesis, Characterization, and Study of in vitro Antioxidant Activity of Some Substituted Biginelli Derivatives

Abstract

Qsar and Docking Studies of New Triazolopiperazine Derivatives as Potent Hypoglycemic Candidates

Abstract

Evaluation of 2(3H)-Benzoxazolone Derivatives Containing Piperidine Substituents as Cytotoxic and Apoptotic Agents: An in vitro and in silico Study

Abstract

Designing and Synthesis of Some Transition Metal Complexes Derived from Schiff Bases for Anti-Bacterial Activity

Abstract