One‐pot,Multicomponent Cascade Reaction for the Synthesis of Various Aralkyl/alkylthio‐3,5‐dimethyl‐1H‐pyrazolyl‐4H‐1,2,4‐triazol‐4‐amine and Their Docking Studies

A facile and simple one‐pot procedure for the synthesis of various aralkyl/alkylthio‐3,5‐dimethyl‐1H‐pyrazolyl‐4H‐1,2,4‐triazol‐4‐amines has been described via a multicomponent reaction of 4‐amino‐5‐hydrazinyl‐4H‐1,2,4‐triazole‐3‐thiol, acetylacetone, and various aryl/alkyl halides in good yields. All the newly synthesized compounds were characterized by using analytical and spectral studies. Our in silico studies confirmed that 4e , 4f , 4g , and 4j have the best inhibition activity among the synthesized compounds with a high selective index against the Tubulin protein and showed best interactions with receptor structure. The present study provides a novel series of compounds with a promising inhibitor to prevent on Tubulin protein.     

Mixed alkali effect in physical and optical properties of Li2O–Na2O–WO3–B2O3 glasses

Glasses with composition xLi₂O-(30 ? x)Na₂O–10WO₃–60B₂O₃ (where x = 0, 5, 10, 15, 20, 25 and 30 mol%) have been prepared using the melt quenching technique. In the present work, the mixed alkali effect (MAE) has been investigated in the above glass system through density and modulated DSC studies. The density and glass transition temperature of the present gasses varies non-linearly, the exhibiting the mixed alkali effect. From the optical absorption studies, the values of direct optical band gap, indirect optical band gap energy (E_o) and Urbach energy(ΔE) have been evaluated. The values of E_o and ΔE vary non-linearly with composition parameter, showing the mixed alkali effect. The electronic polarizability of oxide ions, optical basicity and the Yamashita–Kurosawa's interaction parameter have been examined to check the correlation among them and bond character. Based on good correlation among electronic polarizability of oxide ions, optical basicity and the Yamashita–Kurosawa's interaction parameter, the present Li₂O–Na₂O–WO₃–B₂O₃ glasses were classified as normal ionic (basic) oxides.     

Iodine-catalyzed ultrasound-assisted construction of pyridines and their glutamine synthetase molecular docking

Iodine-promoted facile protocol is designed for the production of pyridines at room temperature under ultrasound irradiation. Eleven pyridine derivatives in excellent yields (91–97%) are synthesized with 2 hr reaction time. Additional advantage of the proposed ultrasound-assisted eco-friendly, cost-effective protocol is easy separation of product, and our in silico studies show good binding affinity toward binding and made strong hydrogen interactions.     

Synthesis,Antibacterial Activity,and Cytotoxicity of Newly Synthesized N-Substituted 5,6-Dimethoxy-1H-indole Derivatives

Russian Journal of General Chemistry - A series of novel functionalized N-substituted 5, 6-dimethoxy-1H-indole derivatives is synthesized. All products are evaluated for antibacterial activity...     

Design,synthesis, biological evaluation and in silico molecular docking studies of novel benzochromeno[2,3-d]thiazolopyrimidine derivatives

Research on Chemical Intermediates - A new series of benzochromeno[2,3-d]thiazolopyrimidine derivatives were synthesized by involving...     

A Study on Spectro-Analytical Aspects,DNA – Interaction,Photo-Cleavage,Radical Scavenging,Cytotoxic Activities,Antibacterial and Docking Properties of 3 – (1 – (6 – methoxybenzo [d] thiazol – 2 – ylimino) ethyl) – 6 – methyl – 3H – pyran - 2, 4 – dione and its Metal Complexes

The focus of the present work is on the design, synthesis, characterization, DNA-interaction, photo-cleavage, radical scavenging, in-vitro cytotoxicity, antimicrobial, docking and kinetic studies of Cu (II), Cd (II), Ce (IV) and Zr (IV) metal complexes of an imine derivative, 3 – (1 – (6 – methoxybenzo [d] thiazol – 2 – ylimino) ethyl) – 6 – methyl – 3H – pyran – 2, 4 – dione. The investigation of metal ligand interactions for the determination of composition of metal complexes, corresponding kinetic studies and antioxidant activity in solution was carried out by spectrophotometric methods. The synthesized metal complexes were characterized by EDX analysis, Mass, IR, ¹H-NMR, ¹³C-NMR and UV–Visible spectra. DNA binding studies of metal complexes with Calf thymus (CT) DNA were carried out at room temperature by employing UV-Vis electron absorption, fluorescence emission and viscosity measurement techniques. The results revealed that these complexes interact with DNA through intercalation. The results of in vitro antibacterial studies showed the enhanced activity of chelating agent in metal chelated form and thus inferring scope for further development of new therapeutic drugs. Cell viability experiments indicated that all complexes showed significant dose dependent cytotoxicity in selected cell lines. The molecular modeling and docking studies were carried out with energy minimized structures of metal complexes to identify the receptor to metal interactions.