New indole based hybrid oxadiazole scaffolds with N-substituted acetamides: As potent anti-diabetic agents.

Current study is based on the sequential conversion of indolyl butanoic acid (1) into ethyl indolyl butanoate (2), indolyl butanohydrazide (3), and 1,3,4-oxadiazole-2-thiol analogs (4) by adopting chemical transformations. In a parallel series of reactions, 2-bromo-N-phenyl/arylacetamides (7a-l) were synthesized by reacting different amines derivatives (5a-l) with 2-bromoacetyl bromide (6) to serve as electrophile. Then, the synthesized electrophiles (7a-l) were treated with nucleophilic 1,3,4-oxadiazole-2-thiol analog (4) to afford a range of N-substituted derivatives (8a-l).

Synthesis, in vitro urease inhibitory activity, and molecular docking studies of thiourea and urea derivatives.

The current study deals with the synthesis of urea and thiourea derivatives 1-37 which were characterized by various spectroscopic techniques including FAB-MS, H-, and C NMR. The synthetic compounds were subjected to urease inhibitory activity and compounds exhibited good to moderate urease inhibitory activity having IC values in range of 10.11-69.

Synthesis of Some Unique Carbamate Derivatives bearing 2-Furoyl-1-piperazine as a Valuable Therapeutic Agents.

The aim of the research work was to synthesize different biologically active carbamate derivatives bearing 2-furoyl-1-piperazine and having modest toxicity. The synthesis was completed as a multiple sequence. The structural confirmation of all the synthesized compounds was obtained by EI-MS, IR and 1H-NMR spectral data.

Identification of potent urease inhibitors via ligand- and structure-based virtual screening and in vitro assays.

A pharmacophore model was developed based on three structurally diverse urease inhibitors by using the GASP program. This model comprises the positions and tolerance for two acceptor atoms (AA1 and AA2), one donor atom (DA1), and one hydrophobic center (HYP1). This derived phamacophore model was employed to screen an in-house database of organic compounds.

Elaeagnoside, chymotrypsin inhibiting steroidal glucoside from Elaeagnus orientalis.

Elaeagnoside (1), a new steroidal glucoside, has been isolated from the chloroform fraction of Elaeagnus orientalis along with beta-sitosterol and 12-hydroxy-8,10-octadecadienoic acid. The structure of 1 has been elucidated with the help of chemical and spectral studies. It showed significant inhibitory activity against the enzyme chymotrypsin.

alpha-Chymotrypsin inhibition studies on the lignans from Vitex negundo Linn.

The lignans (1-8) isolated from the roots of Vitex negundo Linn. were screened against the serine proteases alpha-chymotrypsin, thrombin and prolyl endopeptidase. Compounds 3 and 4 were found to be active only against alpha-chymotrypsin and were noncompetitive and competitive inhibitors of the enzyme, respectively.

Urease inhibitor from Datisca cannabina linn.

A new flavonoid datisdirin (1), along with eight known compounds tectochrysine, cearoin, sideroxyline, ursolic acid, corosolic acid, arjunolic acid, erythrodiol and oleanolic acid, were isolated from the ethyl acetate fraction of D. cannabina Linn. The structure of compound 1 was deduced on the basis of its spectral data.

3D-QSAR CoMFA studies on bis-coumarine analogues as urease inhibitors: a strategic design in anti-urease agents.

A 3D-QSAR study has been performed on thirty (30) bis-coumarine derivatives to correlate their chemical structures with their observed urease inhibitory activity. Due to the absence of information on their active mechanism, comparative molecular field analysis (CoMFA) was used in the study. Two different properties: steric, electrostatic, assumed to cover the major contributions to ligand binding, were used to generate the 3D-QSAR model.

Piperidines: a new class of urease inhibitors.

A variety of piperidines (2-12, 14-26) with variable substituents at N-atoms have been synthesized and evaluated as urease inhibitors. The synthesized compounds showed varying degree of urease inhibitory activity ranging from 31.97 to 254 microM.

Withanolides, a new class of natural cholinesterase inhibitors with calcium antagonistic properties.

The withanolides 1-3 and 4-5 isolated from Ajuga bracteosa and Withania somnifera, respectively, inhibited acetylcholinesterase (AChE, EC 3.1.1.

Juliflorine: a potent natural peripheral anionic-site-binding inhibitor of acetylcholinesterase with calcium-channel blocking potential, a leading candidate for Alzheimer's disease therapy.

The alkaloid juliflorine (1) from Prosopis juliflora inhibited acetylcholinesterase (AChE, EC 3.1.1.

Two new diterpene polyesters from Euphorbia decipiens.

Two new myrsinol-type diterpene polyesters 3,5,13,17-tetra-O-acetyl-7-O-benzoyl-15-hydroxymyrsinol (1) and 3,5,13,17-tetra-O-acetyl-7-O-butanoyl-13-hydroxymyrsinol (2), with a tricyclic carbon skeleton have been isolated from Euphorbia decipiens Boiss. & Buhse. The structure elucidation of the isolated compounds was based primarily on HREIMS, EIMS, IR, UV, ID-, and 2D-NMR analyses, including COSY, HMQC, HMBC, and NOESY correlations.