Letters in Drug Design & Discovery - Volume 12, Issue 2, 2015

A new series of phenothiazine and carbazole derivatives was synthesized and evaluated for their biological activity on human protein farnesyltransferase. The farnesyltransferase assays revealed that carbazole 4f was the best farnesyltransferase inhibitor in the current study (IC50 (human FTase) = 35.0 μM), providing that the presence of the carbazole unit is important in this family of compounds. Moreover, unexpe Read More

Ribonucleotide reductase is an enzyme that catalyzes the formation of deoxyribonucleotides from ribonucleotides. We present for the first time a quantum-chemical study of the thermodynamics of reactions of naturally occurring potent inhibitors (trans-resveratrol, trans-piceatannol and hydroxyurea) of ribonucleotide reductase with tyrosine radical and cysteine radical, scavenging of which is crucial for the inhibition of th Read More

Mannich bases are pharmacologically important molecules having wide range of bioactivities. We previously synthesized and characterized a number of Mannich base derivatives of planar polycyclic/heterocyclic starting materials of which four of them [MB1 (3-(bis(2-chloroethyl)amino)-1-phenylpropan-1-one hydrochloride), MB2 (3-(bis(2- chloroethyl)amino)-1-(naphthalen-2-yl)propan-1-one hydrochloride), MB3 (3-(bis(2-ch Read More

(E)-2-Arylmethylideneindolin-3-ol derivatives have been explored as new and potential anti-proliferative agents. Synthesis of these compounds was carried out by using a Pd/C-catalyzed alternative and one-pot method involving C-C coupling of 1-(2-(p-tosylamino)phenyl)prop-2-yn-1-ol with a range of iodoarenes followed by intramolecular hydroamination in the same pot. The reaction proceeded faster when performed under Read More

A series of hybrids of 3-hydroxy-indolin-2-one and 2,3-dihydroquinolin-4(1H) -one were synthesized and their anti-proliferative activities against two human cancer cell lines were initially evaluated. Compound 7g was selected for further study and demonstrated moderate anti-proliferative activities against four human cancer cell lines. Meanwhile, 7g had inhibitory effects on the growth of SGC-7901 cells in dosage-and time- Read More

The prediction of contact maps in protein is a challenging topic for the determination of three-dimensional protein structures. In this paper, we introduce Forest of Decision Trees, a methodology for the prediction of protein contact maps based on (1) a divide-and-conquer approach to analyze the prediction problem; (2) a codification vector that combines the information obtained from the target amino acids neighborh Read More

A small collection of eugenol- and curcumin-analog hydroxylated biphenyls was prepared by straightforward methods starting from natural 4-substituted-2-methoxyphenols and their antitumoral activity was evaluated in vitro. Two curcumin-biphenyl derivatives showed interesting growth inhibitory activities on different malignant melanoma cell lines with IC50 ranging from 13 to 1 μM. Preliminary molecular modeling studie Read More

Several plant medicines are presented that have not been previously discussed in detail and are used in China and the USA for the management of Alzheimer’s disease. These plant medicines may provide new leads for drug therapy of this disease. Prevention of Alzheimer’s disease is presented as potentially the best way to manage the disease.

A series of bisphenol-C derivatives was synthesized by condensing bisphenol-C with benzylchloride, alkylchloroacetates and alkylchloroformates in the presence of anhyd. K2CO3 in THF using catalytic amount of PEG-600. The compounds were characterized by FTIR, 1HNMR, 13CNMR and MS; and assayed for their antibacterial activity against S. aureus MTCC-96, B. subtilis MTCC-441, E. coli MTCC-443, S. typhi MTCC-98 and antif Read More

Alzheimer's disease (AD) is a multi factorial disease, related to the loss of neurons and synapses in cerebral cortex and subcortical structures, leading to degenerative changes and atrophy. Despite abundance of facts related to AD and its pathology, the only drugs used in the prevention and treatment are those from the cholinesterase inhibitors group. However, there is growing evidence that a non-classical therapeutic a Read More