NOPR Collection:

Prediction of agonist, partial agonist and full antagonist of H. pylori TlpB utilizing molecular docking

Fri, 01 May 2020 00:00:00 GMT

Title: Prediction of agonist, partial agonist and full antagonist of H. pylori TlpB utilizing molecular docking Authors: Kumar, Mohit; Nandi, Sisir Abstract: Helicobacter pylori infections are one of the major issues that produce gastric and duodenal ulcers due to chronic gastritis. Deforestation and global warming may cause ecological imbalance followed by climatic change due to enhanced temperature. This may contribute to abdominal discomfort and gastritis specifically in case of in taking a lot of non-vegetables, fast and junk foods, oily and spicy foods. H. pylori, which is asymptomatic for almost 80% of people’s gastrointestinal tract (G.I.T.), may be stimulated due to chronic gastritis. It has been associated with colorectal polyps and cancer, if not treated well. Therefore, attention has been paid to predict some urea compounds as H. pylori antagonists utilizing structure-based molecular docking. Earlier reports of such work do not exist. Page(s): 669-676

Pivalic acid assisted Biginelli reaction for synthesis of dihydropyrimidinones and dihydrothiopyrimidinones

Fri, 01 May 2020 00:00:00 GMT

Title: Pivalic acid assisted Biginelli reaction for synthesis of dihydropyrimidinones and dihydrothiopyrimidinones Authors: Kadam, Hari K; Gawas, Anushri Laxman; Vernekar, Shruti Sagun; Chodankar, Anika Arjun; Gaonkar, Saurabh Sudan; Salgaonkar, Lalitprabha N; Anvekar, Tushar S; Vaz, Teotone; Mhaldar, Shashank N Abstract: Herein is provided an alternate, simple, multigram scale, efficient route for Biginelli reaction for synthesis of dihydropyrimidinones using urea, ethylacetatoacetate, and benzaldehyde with pivalic acid. Page(s): 677-681

Synthesis, anti-tuberculosis and anti-bacterial activities of sulfonamide bearing 4-((2-(5-bromo-1H-pyrazolo[3,4-b]pyridin-1-yl)-2-oxoethyl)amino)-N-(various substitutions)benzenesulfonamide

Fri, 01 May 2020 00:00:00 GMT

Title: Synthesis, anti-tuberculosis and anti-bacterial activities of sulfonamide bearing 4-((2-(5-bromo-1H-pyrazolo[3,4-b]pyridin-1-yl)-2-oxoethyl)amino)-N-(various substitutions)benzenesulfonamide Authors: Variya, Hiren H; Panchal, Vikram; Patel, G R Abstract: In this study all the new synthesized compounds of sulfonamide bearing 4-((2-(5-bromo-1H-pyrazolo[3,4-b]pyridin-1-yl)-2-oxoethyl)amino)-N-(various-substitutions)benzenesul-fonamide have been synthesized by using 1-(5-bromo-1H-pyarazolo[3,4-b]pyridin-1yl)-2-chloroethanone which has been fused with various sulfa drugs in presence of potassium carbonate and DMF. All the derivatives have been recognized by physical properties like melting point and characterization by elemental analysis (CHNS) and various spectral techniques such as FT-IR, ¹H and ¹³C NMR, and ESI-MS. The series of these pyrazolo[3,4-b]pyridin bearing sulfonamide have been synthesized and the final derivatives have been evaluated for bioactivity such as anti-bacterial activity against gram +ve and gram −ve and also screened for their in vitro anti tubercular activity against Mycobacterium tuberculosis H₃₇RV. The results for the synthesized compounds have been compared against standard drugs. Page(s): 682-689

Design, synthesis, computational and biological evaluation of novel hydroxamic and carboxylic acid derivatives as histone decaetylase inhibitors

Fri, 01 May 2020 00:00:00 GMT

Title: Design, synthesis, computational and biological evaluation of novel hydroxamic and carboxylic acid derivatives as histone decaetylase inhibitors Authors: Gharia, Bhavini; Suhagia, Bhanubhai N; Upadhyay, Jagatkumar; Champaneria, Richa; Lodha, Sandesh; Shah, Shailesh A Abstract: One of the recent targets is histone deacetylase (HDAC) which provide a very promising new approach for anticancer drugs, which may combine clinical efficacy with relatively mild toxicological side effects. Modification of histone acetylation level, promoted by histone acetylase (HAT) and HDAC enzyme, has been recognize to play an important role in epigenetic modulation of gene expression, so HDAC inhibitors are considered a new class of anticancer agents. A new series of hydroxamic and carboxylic acid analogues based on the 1,3,4-thiadiazole scaffold has been designed and synthesized with the aim of exploring its potential as new antitumor agents. Biological results have revealed that the structural modifications proposed significantly affected inhibitory potency as well as selectivity for HDAC inhibitors. Most target compounds are significantly more active, specifically 5a, 5b, 5e with IC₅₀ values in the low micromolar or, the most active compounds in the series. Selected compounds have been tested on the viability of MDA-MB-231 (breast cancer cell) and K562 (chronic myelogenous leukemia cell), A549 (human lung cancer), PC3 (Prostate cancer cell lines) using MTT assay. Docking simulations suggested that the most active compounds can recognize the binding site (PDB Code 1w22 reference compound) using a similar interactions network. These results have allowed us to rationalize the observed structure–activity relationships. Page(s): 690-699