In a bid to discovering novel antibiotics to combat growing trend of multi-drug resistance strains of Salmonella typhi, 48 new pyridine derivatives with significant inhibitory activities against the aforementioned bacterium were subjected to molecular docking against DNA gyrase protease of the bacterium, drug likeness evaluation and pharmacokinetics profiling. All the 48 leads displayed better binding affinity values when compared with Amoxicillin, Ciprofloxacin, Ceftriaxone, Ampicillin, and chloramphenicol, the standard antibiotics used herein for quality assurance. Furthermore, the majority of the compounds were, however, screened out due to their poor pharmacokinetics profiles and drug-likeness. Only five compounds emerged as the most promising leads and they include C4 with binding affinity of -8.0 kcal/mol, C8 (-8.6 kcal/mol), C9 (-8.1 kcal/mol), C26 (-8.3 kcal/mol), and C27 (-8.0 kcal/mol). These compounds not only displayed better binding affinity when compared with the reference antibiotics but also exhibit different modes of interactions with the target protease of the bacterium making them more potent and drug like. Toxicity evaluation of the leads also revealed that the compounds are neither tumorigenic nor mutagenic. In view of the excellent binding affinity, high pharmacokinetics profile and positive drug-likeness of the novel ligands, we recommend these promising compounds for in vitro and in vivo studies in order to discover novel antibiotics that could curb the dangerous trend of multiple drug resistance by Salmonella typhi.

Under solvent-free conditions, a simple and efficient procedure has been developed for the Michael addition reaction of active methylene compounds to β-nitrostyrenes. The resulting Michael adducts are efficiently converted into functionalized pyrazole derivatives with hydrazine hydrate in excellent yields. All the compounds were well characterized by spectroscopic techniques.

Fused heterocyclic derivatives have become an important scaffold nowadays, which could be used as a template in drug development and medicinal chemistry. Benzimidazole moiety is an imperious aromatic heterocycle which is frequently present in naturally occurring products such as purines, vitamin B 12 and histidine as well as synthesized bioactive compounds, indomethacin and albendazole, for example. This study comprises widespread and comprehensive literature analysis on chemical reactivity and biological properties associated with Benzimidazole containing molecules. Benzimidazole ring structure possesses an extensive variety of pharmacological activities in several medications of therapeutic interest against a variety of diseases such as hypertension, malaria, cancer, microbial diseases, inflammatory disorders, etc. Furthermore, this fused heterocycle benzimidazole core might interact with various anions and cations in addition to biomolecules over different reactions in the human body, therefore exhibiting wide-ranging biological activities such as antineoplastic, antibacterial and antifungal, anti-inflammatory and analgesic, antihypertensive, antiviral and antidepressant. In this review, we are focusing on the chemistry and recent biological activities, designing approaches, and SAR (structure-activity relationship) data of different benzimidazole-based analogues during the past years.

Heavy metals contamination of water is a serious and complex environmental problem due to rapid industrialization, bioaccumulation and non-degradability. Therefore, the reuse of agricultural waste in the process of purifying water from pollutants is an attractive and promising method. Almost inexpensive materials are used to purify water, thus achieving the desired economic and environmental goal. In this study banana peel (BP) was used before and after modification by 0.1M sulphuric acid (H2SO4) to enhance the removal of Zinc Zn(II), Lead Pb(II) and Nickel Ni(II). The effect of various parameters was studied Such as pH, contact time, adsorbent dosage and initial metal ion concentration at 5 ppm. All these parameters were studied in batch experiments for a comparative study. The removal percentage was found to be 84% Zn (II),78%Pb (II) and 72% Ni (II) before modification and 92% Zn (II) , 94% Pb (II) and 96% Ni (II) after modification at initial concentration of 5 ppm. The data obtained from sorption isotherms were described with Langmuir and Freundlich isotherm models but were found to be well fitted for the Langmuir model. The correlation coefficient values R2 for Langmuir were at the range (0.996-0.999) while that for Freundlich were at the range (0.912-0.972). The rate of adsorption follows Pseudo-second-order kinetics. This work proved the high banana peels efficiency as an adsorbent agent for heavy metals removal from aqueous solutions.

Metal complexes of [2-(2-hydroxynaphthalen-1-ylazo)-pyridin-3-ol] are derived from 2-amino-3-hydroxypyridine and β-naphthol was synthesized and characterized by thermal, spectral and analytical tools. The ligand was reacted with Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) in 1:2 stoichiometry. The IR spectra confirms the azo ligand coordination to metal ions via azo nitrogen and phenolic oxygen of pyridine after deprotonation. Both IR and 1HNMR spectra recorded involvement of deprotonated hydroxyl groups with proton displacement. The magnified fluorescence was shown by Mn(II) and Ni(II) complexes. None of the prepared ligands or complexes show any NLO activity with KDP as standard. The DNA cleavage and anticancerous activities done. The influence of zinc chelates on cure characteristics of rubber compounds was estimated based on rheometer measurements. The ligand and metal complexes are tested in vitro against some bacteria and fungi species. The antioxidant activities, DNA cleavage and anticancerous activities done. Ligand and its complexes catalysed cleavage of DNA.

A series of piperazine-based phthalimide derivatives 5 (a-l) were synthesized and extensively characterized using a variety of spectrum methods, including LC-MS, 1H-NMR, 13C-NMR, and FT-IR. All the derivatives were examined for their physicochemical, pharmacokinetic, bio-activity score, and PASS analysis. The 5e piperazine-based phthalimide derivative demonstrated promising antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) in the in vitro antibacterial studies. In comparison to streptomycin and bacitracin (10 µg/mL), the minimum inhibitory concentration of 5e against MRSA was discovered to be 45±0.15 micro g/ml. The anti-MRSA activity was validated with membrane damage studies by using SEM, and in silico docking studies were against 3VMT and 6FTB proteins of MRSA. In the toxicity study, 5e derivatives were evaluated against L6 cell lines. The results of the studies show the synthesized 2-(2-(4-((4-chlorophenyl) sulfonyl) piperazin-1-yl) ethyl) isoindoline-1,3-dione (5e) can be used for the development of anti-MRSA drugs.

The present paper elicits the zinc oxide nanoparticles-assisted synthesis of a new series of seven-membered 1,4-diazepine heterocyclic compounds as potent lead scaffolds. Structures of synthesized compounds were corroborated using spectroanalytical techniques viz, FT-IR, 1H, 13C NMR, Mass, and elemental analysis. Also, Field emission scanning electron microscopy (FE-SEM), Transmission electron microscopy (TEM), Energy dispersive x-ray analysis (EDAX), powder X-ray diffraction (PXRD), and Fourier transform infrared spectroscopy (FT-IR) were used to establish the structure and morphology of the synthesized nanocatalyst. The clean workup procedure, high to excellent yields, relatively short reaction times, and high atom economy are the incredible advantages associated with the protocol.

The chemistry of Schiff base has received remarkable attention in different applications, both organic synthesis and industries. Over the past few years many reports have been on the synthesis, characterization and application of vanadium Schiff base complexes. However, heterogeneous vanadium Schiff base catalysts are active for various oxidation reactions, making catalytic oxidation of hydrocarbons a great interest. This review summarizes the recent development of organic substrate oxidation with heterogeneous vanadium Schiff base catalysts.

Micro/mesopore composite catalysts containing platinum with HZSM-5 zeolite and three different silicate mesopores (SBA-3, KIT-6, and KCC-1) were prepared to investigate the influence of different silicate mesopores in the isomerization reaction of n-heptane at the temperature of 200-350 °C The structural characteristics and morphology of the prepared catalysts were studied by various methods such as XRD, FT-IR, N2 adsorption-desorption, XRF, and SEM. The obtained results indicate that the prepared catalysts have high conversion and high selectivity of multi-branched isomers compared to mono-branched isomers and low development of aromatic compounds. The most suitable results and selectivity were obtained in the n-heptane isomerization reaction related to the Pt/HZSM-5-SBA-3 catalyst.

This work was designed to study the effect of major drains, such as El Rahawy, on the Nile's water quality over time. The data in this study includes six years of physical and chemical variables data, starting from 2015 to 2020, covering three different water streams. The present results showed that the Rosetta branch and Khandaq sharky canal were directly affected by the agricultural drainage of the Rahway drain, with the change over time for the worse. Rayah El Nasery canal enjoyed complete independence from the negative impact of the drain while maintaining the quality at an appropriate level over time. The study predicts a decline in the water quality of the Rosetta branch in the future and recommends exerting more efforts to treat all pollutants that are discharged on the Nile and raise the efficiency of the Rahawy drain.