With the aim of developing potential antifungals, a series of chalcones incorporating sulfur either as part of a heteroaromatic ring (thiophene) or as a side chain (thiomethyl group) were synthesized and tested for their in vitro activity. Some of the compounds showed appreciable activity against a fluconazole-resistant strain, and could act as new hits for the design of better analogs.

Three-Dimensional Quantitative Structure -Activity Relationship (3-D-QSAR) studies for 2-(oxalylamino) benzoic acids as Protein Tyrosine Phosphatase 1B (PTP1B) inhibitors were performed using the genetic function approximation algorithm (Cerius2.GA) and Comparative Molecular Field Analysis (CoMFA). A five-term equation was developed with crossvalidated r 2 (r 2 CV ) and conventional correlation coefficient (r 2 ) of 0.642 and 0.748, respectively, using Cerius2.GA. The CoMFA model from multifit alignment produced good statistical significance with r 2 CV and r 2 of 0.671 and 0.900, respectively. The predictive abilities of Cerius2.GA and CoMFA were determined using a test set of ten molecules giving predictive correlation coefficients of 0.666 and 0.643, respectively, indicating good predictive power. Furthermore, the robustness of the models was verified by bootstrapping analysis. Based on the information derived from Cerius2.GA and CoMFA, we have identified some key features that may be used to design new derivatives and predict their PTP affinities prior to synthesis.

Telmisartan is an angiotensin II receptor antagonist used in the cure of hypertension and other heart diseases. In the current research work, the synthetic route of Telmisartan, including those of starting materials, was evaluated to identify nine potential genotoxic impurities (PGIs) (impurities I−IX) by making use of the literature-, statistical-, and rule-based methods. To date, no suitable methods have been developed for the separation and quantification of these nine impurities in Telmisartan at the threshold of toxicological concern (TTC) level. Based on the identified impurities, four chromatographic methods were developed and validated as per the International Council on Harmonisation (ICH) guidelines. The developed methods are practical and efficient in the detection as well as quantification of PGIs and may be adopted to guarantee the safe use of Telmisartan.