Shri Gs Institute Of Technology And Science An Autonomous Institution

Indore, India

Shri Gs Institute Of Technology And Science An Autonomous Institution

Indore, India
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Valentina P.,SRM University | Kamaria P.,Shri Gs Institute Of Technology And Science An Autonomous Institution
Der Pharmacia Lettre | Year: 2013

In present study a new series of 3,6-disubstituted-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles derivatives(4a-j) were synthesized by hydrazinolysis of aromatic esters(methyl paraben and benzocaine) to give aryl hydrazides (1a-b), which were reacted with carbon disulphide and potassium hydroxide in ethanol to yield 3-substituted-5-mercapto- 1,3,4-oxadiazole(2a-b),which further cyclized to 4-amino-5-mercapto-1,2,4-triazoles(3a-b) by reacting with hydrazine hydrate. The resulted triazoles were converted to substituted triazolo-thiadiazoles (4a-j) by condensation with aromatic/hetro aromatic acids in presence of phosphorus oxychloride .The IR, 1H NMR and Mass spectral data were in accord with assigned structures. All the compounds were screened for antimicrobial, antifungal (Discdiffusion method and microdilution method) and Antioxidant activity (Hydrogen peroxide scavenging method). The result of pharmacological evaluation suggests that novel triazolo thiadiazole derivative of aromatic acids showed moderate antibacterial and antifungal activity while significant antioxidant activity as compared to standard drugs.


Patle S.K.,Shri Gs Institute Of Technology And Science An Autonomous Institution | Kawathekar N.,Shri Gs Institute Of Technology And Science An Autonomous Institution | Zaveri M.,Shri Gs Institute Of Technology And Science An Autonomous Institution | Kamaria P.,Shri Gs Institute Of Technology And Science An Autonomous Institution
Medicinal Chemistry Research | Year: 2013

A series of new 2,4,6-trisubstituted pyrimidine derivatives 8(a-j) were synthesized by reacting substituted chalcones containing imidazole 6(a-d) and benzimidazole 7(a-f) with guanidine hydrochloride in the presence of strong base. Substituted chalcones were synthesized by reacting 4-(1H-imidazol-1-yl) benzaldehyde or 4-(1H-benzo[d]imidazol-1-yl)benzaldehyde with different substituted acetophenones in the presence of 40 % NaOH in methanol. The synthesized compounds were confirmed by IR, 1HNMR, and mass spectral data and screened for antileishmanial activity. Antileishmanial activity was performed against Leishmania donovani parasite, and percentage lysis inhibition were calculated by meglumine antimoliate taking a positive control and chloroform (0.1 % CHCl3) treatment served as control. Among all the compounds, 8h and 8j exhibited 50-57 % inhibition against promastigotes, thus providing new structural lead for antileishmanials. © 2012 Springer Science+Business Media, LLC.


Kamaria P.,Shri Gs Institute Of Technology And Science An Autonomous Institution | Kawathekar N.,Shri Gs Institute Of Technology And Science An Autonomous Institution
Medicinal Chemistry Research | Year: 2014

Plasmodium falciparum glutathione reductases involved in redox homeostasis pathway of parasite are found to be the most emerging target in the treatment of malaria. In the present study, a 3D-QSAR pharmacophore model was developed, based on twenty-three 1,4-naphthoquinone derivatives reported previously with marked inhibition against glutathione reductase (GR). The pharmacophore model development and 3D-QSAR analysis was carried out by PHASE program. The hypothesis with best survival score was found to be AAHRR. Thus the resulting pharmacophore model contained two aromatic rings, a hydrophobic and two hydrogen-bond acceptor sites. A statistically reliable model with good predictive power (r 2 = 0.8155, q 2 = 0.7054, average r m 2 = 0.745) was obtained. Using these pharmacophore features, we screened a library of 214,029 compounds (Asinex Database) to find potential ligands that could inhibit the PFGR protein. The compounds then subjected to a number of filters of virtual screening workflow of Schrödinger software. Here, we report the best seven compounds based on their docking scores and mode of interactions. The aromatic ring, hydrophobic group and hydrogen-bond acceptor effects contribute to the inhibitory activity. Binding interaction of the inhibitors can further provide the information regarding the role of different features in ligands responsible for linkage with receptor. Both compound 1 and screened hit with highest docking score (lead-1) found to interact with ASN 278, LYS 32, GLU 31, GLU 277, ASP 275, THR 38, LYS 151 within same binding pocket of PFGR enzyme. The backbone structural scaffolds of these seven lead compounds obtained after screening could serve as building blocks when designing drug-like molecules for inhibition of P. falciparum GR. © 2013 Springer Science+Business Media New York.

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