Due to the new hopes for treatment of multiple sclerosis (MS) diseases by Teriflunomide (TFN), in this project, a cheap, robust, and fully validated method has been developed both for determination of assay content in API (active pharmaceutical ingredient), and for related impurities analysis (RIA). To operate the method, a common C18, end-capped (250 × 4.6) mm, 5µm liquid chromatography column, was applied. The mobile phase A was prepared by dissolving 2.74 g (20mM) of PDP (potassium dihydrogen phosphate) and 3.72 g (50mM) of PC (potassium chloride) in water (1000 mL). Then, pH was adjusted to 3.0 by adding OPA (ortho-phosphoric acid) 85%; while, the mobile phase B was acetonitrile (ACN) (100%). In order to confirm the experimental data about the λmax of TFN, we have used the Born-Oppenheimer molecular dynamics (BOMD) simulations, quantum mechanics (QM), and TD-DFT calculations. According to the results, the method showed a high level of suitability, specificity, linearity, accuracy, precision, repeatability, robustness, and reliable detection limit.

A sequence of pyrano[2, 3-c]pyrazoles was constructed through promoting an eco-friendly, green, and efficient approach. M1-M25 derivatives were developed by a base-catalyzed one-pot reaction involving application of hydrazine hydrate 96%, β-keto ester as ethyl acetoacetate or diethyl malonate, aryl/heteroaryl aldehyde or isatin, and enolizable active methylene compounds with isolation of unexpected compound M2. Further on, intramolecular cyclization of compounds M10, M13 with formic acid, acetic anhydride, and formamide leads to the corresponding pyrimidine derivatives M26-M31. Afterwards, the antimicrobial activity of the compounds was evaluated and fortunately, the vast majority of the compounds showed outstanding anti-bacterial results. Besides, the potential mode of action of the synthesized compounds was determined by employing a molecular-docking study against penicillin-binding protein implicated in anti-bacterial action. Compound M21 was one of the most promising anti-bacterial agents with potential binding affinity against the penicillin-binding protein. This study shed light on novel compounds for further antimicrobial drug development.

Sulfonamides are a very good antibacterial agent that targets essential bacterial enzymes specifically DNA gyrase. The objective of the present work was to investigate the molecular docking of the (4-(tert-butyl)-N,N-diethylbenzenesulfonamide) with the DNA gyrase of S. aureus. The energy-free topoisomerase activity of the A subunit, which breaks the DNA, is inhibited by 4-quilones such as nalidixic acid and ciprofloxacin. The energy transducing activity of the B subunit is inhibited by novobiocin and other coumarin antibiotics. Single crystal X-ray diffractometer study was carried out to understand the structure, physical and chemical reactive parameters, the title compound is crystallized under monoclinic crystal system with the space group of P21/C. To understand the behaviour of the title compound in living organism, Absorption, Distribution, Metabolism, Excretion analysis was done using Swiss ADME and Osiris data warrior tool. Further, Toxicity of the title compound was predicted by using PKCSM online software.

The new fully substituted (1H-1,2,3-triazol-4-yl)acetic acids were synthesized from available precursors (1H-1,2,3-triazol-4-yl)ethanones and 1Н-1,2,3-triazole-4-carboxylic acids, which are easily prepared by the Dimroth reaction from azides and 1,3-dicarbonyl compounds. The practical methods of homologization (the Arndt–Eistert reaction and homologization as a result of nucleophilic substitution by cyanide anion) and the Willgerodt-Kindler reaction were compared. The Willgerodt-Kindler method starting from (5-methyl-1H-1,2,3-triazol-4-yl)ethanones was selected as the most convenient method for the synthesis of 2-(1-aryl-5-methyl-1H-1,2,3-triazol-4-yl)acetic acids, which are promising building blocks for drug discovery. Additionally, (1H-1,2,3-triazol-4-yl)ethanones were studied for the synthesis of alcohols, amines and in the Johnson–Corey–Chaykovsky reaction.

The corrosion inhibition efficiency of the Schiff base N,N’-(5,5-dimethylcyclohexane-1,3-diylidene)dianiline (DmChDa) on mild steel in 1M HCl and 0.5M H₂SO₄ was evaluated using gravimetric, electrochemical impedance spectroscopy, potentiodynamic polarization and electrochemical noise measurement. Experimental results established that DmChDa possess relatively high corrosion inhibition capacity. Langmuir and El-Awady adsorption isotherms were obeyed by the Schiff base in 1M HCl and 0.5M H₂SO₄ respectively. SEM analysis showed that DmChDa was adsorbed on the steel surface during corrosion inhibition. The variation of metal dissolution with temperature was also examined using gravimetric study.

Based on paralyzed and death time, zinc oxide (ZnO) nanoparticles (NPs) were preliminarily investigated for possible biological effectiveness of anthelmintic activity on Pheretima Posthuma. After synthesizing ZnO NPs by low-temperature precipitation method with slight modification, size, morphology, and shape evaluation of these nanoparticles were characterized by scanning electron microscopy and annealing temperature in the range 400-700C. In this anthelmintic assay, the paralyzed time (PT) was gradually shorter with the increase of the sample concentration, for instance, when high concentration (40mg/ml) sample was applied on adult worms the paralyzed time was 35.6 minutes only. The death time (DT) was 450 and 80 minutes when the sample concentration was 20 and 40 mg/ml respectively. These results were compared with albendazole as a reference showed PT and DT 378.6 and 402.3 minutes respectively, and showed maximum dose-dependent anthelmintic activity. Finally, at higher concentration paralytic effect (PE) was showed much earlier and subsequently, it is important to note that the time taken for death observation was shorter.

Gold and silver nanoparticles are easily synthesized and the most effective nanostructures in clinical practice. Their optical properties, ease of synthesis, colloidal stability and the ability to form any surface for easier conjugation with biological particles, the ability to individual multiple use, make them especially important in oncology. Gold and silver nanoparticles are capable of providing targeted drug delivery, which depends on the photothermal, photodynamic, and antiangiogenic properties of the metal. Due to their exceptional properties, these nanoparticles are considered as a potential tool for the diagnosis of various types of cancer and drug delivery. The non-toxic and non-immunogenic nature of gold and silver nanoparticles, as well as their high permeability and retention effect, provide additional advantages, allowing drugs to easily penetrate and accumulate at tumor sites. The effectiveness of precious metal nanoparticles as radiosensitizers, dose enhancers and contrast agents is gaining increasing recognition. An important problem associated with the use of biogenic metal nanoparticles is the study of their genotoxicity, since they play an important role in the initiation and progression of abnormalities, including genetic ones.

A new method for the direct oxidation of aromatic amines to azobenzenes employing aqueous tertiary-butyl hydrogen peroxide and potassium tertiary butoxide as an oxidant and base, respectively is described. The desired products are obtained in good yields. The developed protocol is associated with certain advantages for example free from any metal oxidants.

To generate a new class of scaffolds with amended anti-microbial potency, synthesis and in vitro biological evaluation of a series of 2-((5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl)methylthio)-5-substitutedphenyl-1,3,4-oxadiazole (5a-5o) having S-Methylene linkage between the two 1,3,4-diisoxazole rings is reported. Anti-microbial properties of the entire compounds were investigated in a broad panel of some selected gram-positive bacterial strains, gram-negative bacterial strain, and fungal strains using the broth microdilution method. The results were dominant on –Cl and –NO₂ functionality than the used standard drug.

Past researches on 4-thiazolidinone nucleus have revealed the prominent potential of derivatives containing this nucleus to be developed as a potent therapeutic agent. Because of these biological activities, their structure-activity relationship has created an interest for medicinal chemists leading to the discovery of a number of lead molecules. This review highlights the routes for its synthesis and summarizes the past and recent studies on its biological activities to guide the medicinal chemists working on this nucleus in the development of clinically viable drugs.