Letters in Drug Design & Discovery - Volume 10, Issue 5, 2013

The indole-substituted titanocene dichloride derivative Titanocene T, which is completely water-soluble and shows micromolar activity against the human renal cancer cells Caki-1, was tested in vivo an against xenografted human renal cell tumors in mice. Titanocene T was then given at 25 and 50 mg/kg, seven times every four days during three weeks to two groups (n=6) of Caki-1 tumor-bearing female NMRI:nu/nu mice, while Read More

A series of 3-chloro-4-(indol-3-yl)-2,5-pyrroledione derivatives were synthesized and evaluated for their cytotoxic activities in vitro against five human cancer cell lines (K562, A549, ECA-109, KB and SMMC-7721). Most compounds displayed potent cytotoxicity with IC50 values in low micromolar range. The results showed that the existence of the chlorine atom at 3-position on the pyrroledione ring was crucial for the Read More

Scolopendra subspinipes mutilans, also known as Chinese red-headed centipede, is a venomous centipede from East Asia and Australasia. In traditional Chinese medicine, this centipede has been widely used for the treatment of various ailments, but few researches on the venom from this centipede have been conducted so far. In the present study, we reported that the venom could potently suppress the growth of the mye Read More

In this paper, a recently reported series of NPS antagonists is further expanded and biologically evaluated. The ligand efficiency and ADMET score concepts were then applied to the newly disclosed 5-phenyl-2-[2-(1-piperidinylcarbonyl) phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, to limit the SAR exploration. Important pharmacophoric features were identified suggesting potential way forward for the identification of f Read More

To discover the lead compounds with better antitumor activity, the synthesis and cytotoxic activities of fatty acid esters of 20(S)-protopanaxatriol (PPT) were investigated in this study. 22 fatty acid esters of PPT, including two known oleoy esters and other 20 new fatty acid esters, were synthesized using acyl chloride or fatty acid and N, N'- dicyclohexylcarbodiimide (DCC). The structures were elucidated by the combined Read More

The glyoxalase enzymes represent a cellular defence system against the accumulation of cytotoxic α- oxoaldehydes leading to apoptosis. The potential of glyoxalase inhibitors to act as novel anti-cancer agents for drugresistant tumours that over-express glyoxalase is currently under investigation. In the present study, a series of 6- sulfamoylsaccharin and 1,2-benzoxathiine 2,2-dioxide (sulfocoumarin - coumarin bioiso Read More

Hyperglycemia has been shown to be the major risk factor responsible for the systemic complications that are the cause of morbidity and mortality in patients with diabetes. The elevated glucose concentration in blood, activates several pathways such as polyol pathway, PKC pathway, hexosamine pathway and plays an important role not only in cataract but also in the pathogenesis of diabetic complications such as neu Read More

As STAT3 has been validated as an anticancer target, its inhibitors have been shown to possess therapeutic promise for the treatment of human cancers. To identify novel and selective STAT3 inhibitors, a virtual screening based on the STAT3 SH2 domain was performed and a small molecule, 2-phenylquinoline-4-carboxylic acid (5a), with an inhibition constant Ki value of 17.53 μM to STAT3 was discovered. On this basis, the deri Read More

Quantitative Structure Activity Relationship (QSAR) studies using CoMFA and CPSA parameters were carried out on tetranortriterpenoids exhibiting diverse antifeedant activity to obtain models with high predictive ability. Satisfactory results with good statistical parameters were obtained from both methods. CoMFA gave a reasonably better predictive model with a cross-validated r2 value of 0.654 and a conventional r2 value of Read More

In vitro activities of methanol and water (crude) extracts of leaves, barks and seeds from Cassia fistula were tested against Gram-positive and Gram-negative bacteria by using disc-diffusion method at 6.25-100 μg/μl. Of which water extracts of leaf showed powerful antibacterial action against Proteus vulgaris and Staphylococcus aureus than others. Six (6) purified compounds from the most active leaves displayed high Read More

In an attempt to develop effective antimicrobial therapeutics, a new series of pyrazoles incorporating 1,3,5- oxadiazole and 1,2,4-triazole moieties and their S-glycosides has been synthesized. All the newly synthesized compounds were confirmed by IR, 1H, 13C NMR and mass spectral studies. The newly synthesized compounds were tested for their antimicrobial activity against two fungal species and two bacterial species. The Read More

In this study, N-(benzothiazol-2-yl)-2-(piperidin-1-yl)acetamide derivatives (1-24) were obtained by the reaction of 2-chloro-N-(benzothiazole-2-yl)acetamides with piperidine derivatives. The structures of the compounds were elucidated by 1H-NMR and mass spectral data and elemental analysis. The compounds were screened for their antimicrobial activities against pathogenic bacteria and Candida species. The compou Read More

Single step construction of heterocyclic α-aminonitriles has been carried out using Indium Powder as catalyst in water medium via Strecker reaction methodology. The multicomponent reaction products were examined for their inhibitory potential against two Gram-positive bacteria (S. aureus and B. cereus), three Gram-negative bacteria (E. coli, P. aeruginosa and K. pneumoniae) and two fungal species (A. niger and C. albicans). T Read More

A series of 14-diarylidene-1-phenethylpiperidine-4-one derivatives were synthesized using Claisen-Schmidt condensation reactions. The synthesized compounds were screened for their antimycobacterial activity against Mycobacterium tuberculosis (MTB) H37Rv using High Throughput Screen (HTS) using an assay adapted from the microdilution alamarBlue (AB) broth assay reported by Collins and Franzblau and additionally an Read More