One-pot and efficient protocol for preparation of some potent pharmaceutically valuable coumarin derivatives under solvent-free condition via direct coupling using biologically nontoxic organocatalyst, calix[4]arene tetrasulfonic acid (CSA), was introduced. Calix[4]arene sulfonic acid has been incorporated lately as a magnificent and recyclable organocatalyst for the synthesis of some organic compounds. Nontoxicity, solvent-free conditions, good-to-excellent yields for pharmaceutically significant structures, and especially ease of catalyst recovery make this procedure valuable and environmentally benign.

Hamed Tashakkorian

Moslem Mansour Lakouraj

Mona Rouhi

p-Sulfonic Acid Calix[4]arene as an Efficient Catalyst for One-Pot Synthesis of Pharmaceutically Significant Coumarin Derivatives under Solvent-Free Condition

An updated model of the GABA(A) benzodiazepine receptor pharmacophore of the &#x3b1;5-BzR/GABA(A) subtype has been constructed prompted by the synthesis of subtype selective ligands in light of the recent developments in both ligand synthesis, behavioral studies, and molecular modeling studies of the binding site itself. A number of BzR/GABA(A) &#x3b1;5 subtype selective compounds were synthesized, notably &#x3b1;5-subtype selective inverse agonist PWZ-029 (1) which is active in enhancing cognition in both rodents and primates. In addition, a chiral positive allosteric modulator (PAM), SH-053-2&#x2032;F-R-CH3 (2), has been shown to reverse the deleterious effects in the MAM-model of schizophrenia as well as alleviate constriction in airway smooth muscle. Presented here is an updated model of the pharmacophore for &#x3b1;5&#x3b2;2&#x3b3;2 Bz/GABA(A) receptors, including a rendering of PWZ-029 docked within the &#x3b1;5-binding pocket showing specific interactions of the molecule with the receptor. Differences in the included volume as compared to &#x3b1;1&#x3b2;2&#x3b3;2, &#x3b1;2&#x3b2;2&#x3b3;2, and &#x3b1;3&#x3b2;2&#x3b3;2 will be illustrated for clarity. These new models enhance the ability to understand structural characteristics of ligands which act as agonists, antagonists, or inverse agonists at the Bz BS of GABA(A) receptors.

Terry Clayton

Michael M. Poe

Sundari Rallapalli

Poonam Biawat

Miroslav M. Savi&#x107;

James K. Rowlett

George Gallos

Charles W. Emala

Catherine C. Kaczorowski

Douglas C. Stafford

Leggy A. Arnold

James M. Cook

A Review of the Updated Pharmacophore for the Alpha 5 GABA(A) Benzodiazepine Receptor Model

Two novel boron compounds containing caffeic acid phenethyl ester (CAPE) derivatives have been prepared and characterized fully. These new compounds and CAPE have been investigated for potential antioxidant and antimicrobial properties and their ability to inhibit 5-lipoxygenase and whether chelation to boron improves their biological activity. Sodium salt 4 was generally more active than ammonium salt 5 in the biological assays and surpassed the radical scavenging ability of CAPE. Compounds 4 and 5 were more active than CAPE and Zileuton in human polymorphonuclear leukocytes. These results clearly show the effectiveness of the synthesized salts as transporter of CAPE.

Martin J. G. Hébert

Andrew J. Flewelling

Trevor N. Clark

Natalie A. Levesque

Jacques Jean-François

Marc E. Surette

Christopher A. Gray

Christopher M. Vogels

Mohamed Touaibia

Stephen A. Westcott

Synthesis and Biological Activity of Arylspiroborate Salts Derived from Caffeic Acid Phenethyl Ester

The effective treatment of malaria can be very complex: Plasmodium parasites develop in multiple stages within a complex life cycle between mosquitoes as vectors and vertebrates as hosts. For the full and effective elimination of parasites, an effective drug should be active against the earliest stages of the Plasmodium infection: liver stages (reduce the progress of the infection), blood stages (cure the clinical symptoms), and gametocytes (inhibit the transmission cycle). Towards this goal, here we report the design, the synthetic methodology, and the characterization of novel hybrid agents with combined activity against Plasmodium liver stages and blood stages and gametocytes. The divergent synthetic approach allows the access to differently linked primaquine-chloroquine hybrid templates in up to eight steps.

Melanie L&#xf6;dige

Luisa Hiersch

Design and Synthesis of Novel Hybrid Molecules against Malaria

Pyrazole-3-one compounds were designed on the basis of docking studies of previously reported antidiabetic pyrazole compounds. The amino acid residues found during docking studies were used as guidelines for the modification of aromatic substitutions on pyrazole-3-one structure. Depending on the docking score, the designed compounds were selectively prioritized for synthesis. The synthesized compounds were subjected to in vivo hypoglycemic activity using alloxan induced diabetic rats and metformin as a standard. Compound 4 having sulphonamide derivative was found to be the most potent compound among the series.

Prasanna A. Datar

Sonali R. Jadhav

Design and Synthesis of Pyrazole-3-one Derivatives as Hypoglycaemic Agents

A series of new 2,4,6-trisubstituted-s-triazine was synthesized, assessed for antimicrobial activity, and characterized by FTIR, 1HNMR, 13CNMR, and elemental analysis. The tested compounds, 4d, 4g, 4h, 4k, and 4n, have shown considerable in vitro antibacterial efficacy with reference to the standard drug ciprofloxacin (MIC 3.125&#x2009;&#x3bc;gmL&#x2212;1 against B. subtilis, E. coli, and K. pneumoniae). It was observed that compounds 4d and 4h displayed equipotent antibacterial efficacy against B. subtilis (MIC 3.125&#x2009;&#x3bc;gmL&#x2212;1) and S. aureus (MIC 6.25&#x2009;&#x3bc;gmL&#x2212;1). The studies demonstrated that the para-fluorophenylpiperazine substituted s-triazine (4n) was potent and exhibited broad spectrum antibacterial activity against S. epidermidis, K. pneumoniae, and P. aeruginosa with MIC of 6.25&#x2009;&#x3bc;gmL&#x2212;1 and for E. coli, it showed an MIC of 3.125&#x2009;&#x3bc;gmL&#x2212;1 equipotent with reference to the standard drug. Among all the compounds under investigation, compound 4g also demonstrated significant antifungal activity (3.125&#x2009;&#x3bc;gmL&#x2212;1) against C. albicans.

Ravi Bhushan Singh

Nirupam Das

Md. Kamaruz Zaman

Facile Synthesis, Characterization, and In Vitro Antimicrobial Screening of a New Series of 2,4,6-Trisubstituted-s-triazine Based Compounds

According to the WHO, infectious diseases, and in particular neglected tropical diseases in poor developing countries, still play a significant role in a vast number of deaths reported worldwide. Among them, leishmaniasis occurs as a complex and clinically diverse illness caused by protozoan Leishmania species which are transmitted through the bite of sandflies. They develop through a complex life cycle, from promastigotes in sandflies to amastigotes in humans. The severity of disease is determined by the type of infecting Leishmania species and also depends strongly on whether the parasite infection leads to a systemic involvement or not. Since the sensitivity towards diverse medicaments highly differs among the Leishmania species, it is advantageous to treat leishmaniasis with species-specific drugs. Towards this goal we report a synthetic methodology and characterization of novel small molecular agents active against both forms of L. major. This synthetic approach allows for rapid access to new active antileishmanial drug templates and their first derivatives in moderate to very good yields. Although the compounds reported here are bioactive, the detailed biological results are part of a more comprehensive study and will be reported separately by our collaborators.

Melanie Loedige

Design and Synthesis of Novel Antileishmanial Compounds

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International Journal of Medicinal Chemistry publishes original research articles as well as review articles in all areas of chemistry associated with drug discovery, design, and synthesis.

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International Journal of Medicinal Chemistry ceased publication in 2020 and is no longer accepting submissions.

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International Journal of Medicinal Chemistry

International Journal of Medicinal Chemistry publishes original research articles as well as review articles in all areas of chemistry associated with drug discovery, design, and synthesis.

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International Journal of Medicinal Chemistry