Design, Synthesis, Evaluation and Computational Studies of Nipecotic Acid-Acetonaphthone Hybrids as Potential Antiepileptic Agents

2018 ◽  
Vol 14 (4) ◽  
pp. 409-426 ◽  
Author(s):  
Ankit Seth ◽  
Piyoosh A. Sharma ◽  
Avanish Tripathi ◽  
Priyanka K. Choubey ◽  
Pavan Srivastava ◽  
...  
Keyword(s):  
Computational Studies ◽  
Nipecotic Acid ◽  
Design Synthesis ◽  
Antiepileptic Agents

scholarly journals Design, Synthesis and Enhanced BBB Penetration Studies of L-serine-Tethered Nipecotic Acid-Prodrug

Drug Research ◽  
2020 ◽  
Author(s):  
Meenakshi Dhanawat ◽  
Sumeet Gupta ◽  
Dinesh Kumar Mehta ◽  
Rina Das
Keyword(s):  
Epileptic Activity ◽  
Aminobutyric Acid ◽  
Gaba Uptake ◽  
Nipecotic Acid ◽  
Design Synthesis ◽  
Hydrophilic Nature ◽  
Carrier Mediated Transport ◽  
Ester Prodrug ◽  
Hplc Data

Nipecotic acid is considered to be one of the most potent inhibitors of neuronal and glial-aminobutyric acid (GABA) uptake in vitro. Due to its hydrophilic nature, nipecotic acid does not readily cross the blood-brain barrier (BBB). Large neutral amino acids (LAT1)-knotted nipecotic acid prodrug was designed and synthesized with the aim to enhance the BBB permeation by the use of carrier-mediated transport. The synthesized prodrug was tested in animal models of Pentylenetetrazole (PTZ)-induced convulsions in mice. Further pain studies were carried out followed by neurotoxicity estimation by writhing and rota-rod test respectively. HPLC data suggests that the synthesized prodrug has improved penetration through BBB. Nipecotic acid-L-serine ester prodrug with considerable anti-epileptic activity, and the ability to permeate the BBB has been successfully synthesized. Graphical Abstract.

scholarly journals Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Tri-Aryl Imidazole-Benzene Sulfonamide Hybrids as Promising Selective Carbonic Anhydrase IX and XII Inhibitors

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4718
Author(s):  
Lamya H. Al-Wahaibi ◽  
Bahaa G. M. Youssif ◽  
Ehab S. Taher ◽  
Ahmed H. Abdelazeem ◽  
Antar A. Abdelhamid ◽  
...  
Keyword(s):  
Proliferative Activity ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Selectivity Ratio ◽  
Computational Studies ◽  
Design Synthesis ◽  
Ca Ix ◽  
Side Pocket ◽  
Modelling Simulation ◽  
Good Agreement

A novel series of tri-aryl imidazole derivatives 5a–n carrying benzene sulfonamide moiety has been designed for their selective inhibitory against hCA IX and XII activity. Six compounds were found to be potent and selective CA IX inhibitors with the order of 5g > 5b > 5d > 5e > 5g > 5n (Ki = 0.3–1.3 μM, and selectivity ratio for hCA IX over hCA XII = 5–12) relative to acetazolamide (Ki = 0.03 μM, and selectivity ratio for hCA IX over hCA XII = 0.20). The previous sixth inhibitors have been further investigated for their anti-proliferative activity against four different cancer cell lines using MTT assay. Compounds 5g and 5b demonstrated higher antiproliferative activity than other tested compounds (with GI50 = 2.3 and 2.8 M, respectively) in comparison to doxorubicin (GI50 = 1.1 M). Docking studies of these two compounds adopted orientation and binding interactions with a higher liability to enter the active side pocket CA-IX selectively similar to that of ligand 9FK. Molecular modelling simulation showed good agreement with the acquired biological evaluation.

Structural, spectroscopic and computational studies of the 2:1 complex of nipecotic acid with squaric acid

2014 ◽  
Vol 444 ◽  
pp. 7-14 ◽  
Author(s):  
Elżbieta Bartoszak-Adamska ◽  
Zofia Dega-Szafran ◽  
Anna Komasa ◽  
Mirosław Szafran
Keyword(s):  
Squaric Acid ◽  
Computational Studies ◽  
Nipecotic Acid

scholarly journals Design, synthesis, and computational studies on dihydropyrimidine scaffolds as potential lipoxygenase inhibitors and cancer chemopreventive agents

2015 ◽  
pp. 911 ◽  
Author(s):  
Katharigatta Venugopala ◽  
Reshme Govender ◽  
Mohammed Khedr ◽  
Rashmi Venugopala ◽  
Bandar Aldhubiab ◽  
...  
Keyword(s):  
Computational Studies ◽  
Chemopreventive Agents ◽  
Design Synthesis ◽  
Lipoxygenase Inhibitors

Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL

2006 ◽  
Vol 128 (50) ◽  
pp. 16206-16212 ◽  
Author(s):  
Cheol-Min Park ◽  
Tetsuro Oie ◽  
Andrew M. Petros ◽  
Haichao Zhang ◽  
Paul M. Nimmer ◽  
...  
Keyword(s):  
Computational Studies ◽  
Design Synthesis

Design, synthesis and metal sensing studies of ether-linked bis-triazole derivatives

2015 ◽  
Vol 39 (5) ◽  
pp. 3777-3784 ◽  
Author(s):  
Arasappan Hemamalini ◽  
Sathish Kumar Mudedla ◽  
Venkatesan Subramanian ◽  
Thangamuthu Mohan Das
Keyword(s):  
Click Reaction ◽  
Spectroscopic Techniques ◽  
Computational Studies ◽  
Design Synthesis ◽  
Triazole Derivatives ◽  
Metal Sensing

Ether-linked-bis-triazole derivatives have been synthesized by (CuAAC) “Click” reaction. Interaction of the compound with Hg2+has been demonstrated by various spectroscopic techniques which was further confirmed with computational studies.

Design, Synthesis and Computational Studies of Novel Carbazole N-phenylacetamide Hybrids as Potent Antibacterial, Anti-inflammatory, and Antioxidant Agents

2018 ◽  
Vol 55 (7) ◽  
pp. 1765-1774 ◽  
Author(s):  
Shivarudrappa H. Pattanashetty ◽  
K. M. Hosamani ◽  
Arun Kashivishwanath Shettar ◽  
R. Mohammed Shafeeulla
Keyword(s):  
Computational Studies ◽  
Design Synthesis ◽  
Antioxidant Agents ◽  
Anti Inflammatory
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