Exploring Novel Pyridine Carboxamide Derivatives as Urease Inhibitors: Synthesis, Molecular Docking, Kinetic Studies and ADME Profile.

The rapid development of resistance by ureolytic bacteria which are involved in various life-threatening conditions such as gastric and duodenal cancer has induced the need to develop a new line of therapy which has anti-urease activity. A series of pyridine carboxamide and carbothioamide derivatives which also have some novel structures were synthesized via condensation reaction and investigated against urease for their inhibitory action. Among the series, 5-chloropyridine-2 yl-methylene hydrazine carbothioamide (Rx-6) and pyridine 2-yl-methylene hydrazine carboxamide (Rx-7) IC50 = 1.07 ± 0.043 µM, 2.18 ± 0.058 µM both possessed significant activity. Furthermore, molecular docking and kinetic studies were performed for the most potent inhibitors to demonstrate the binding mode of the active pyridine carbothioamide with the enzyme urease and its mode of interaction. The ADME profile also showed that all the synthesized molecules present oral bioavailability and high GI absorption.

Semicarbazones, thiosemicarbazone, thiazole and oxazole analogues as monoamine oxidase inhibitors: Synthesis, characterization, biological evaluation, molecular docking, and kinetic studies.

A series of semicarbazone, thiosemicarbazone, thiazole, and oxazole derivatives were designed, synthesized, and examined for monoamine oxidase inhibition using two isoforms, i.e., MAO-A and MAO-B. Among all the analogues, 3c and 3j possessed substantial activity against MAO-A with IC50 values of 5.619 ± 1.04 µM and 0.5781 ± 0.1674 µM, respectively. Whereas 3d and 3j were active against monoamine oxidase B with the IC50 values of 9.952 ± 1.831 µM and 3.5 ± 0.7 µM, respectively. Other derivatives active against MAO-B were 3c and 3g with the IC50 values of 17.67 ± 5.6 µM and 37.18 ± 2.485 µM. Moreover, molecular docking studies were achieved for the most potent compound (3j) contrary to human MAO-A and MAO-B. Kinetic studies were also performed for the most potent analogue to evaluate its mode of interaction with MAO-A and MAO-B.

An overview of viruses discovered over the last decades and drug development for the current pandemic.

Since the discovery of the yellow fever virus in 1901, thus far, two hundred nineteen viral species are recognized as human pathogens. Each year, the number of viruses causing infections in humans increases, triggering epidemics and pandemics, such as the current COVID-19 pandemic. Pointing to bats as the natural host, in 2019, a genome highly identical to a bat coronavirus (COVID-19) spread all over the world, and the World Health Organization (WHO) officially confirmed it as a pandemic. The virus mainly spreads through the respiratory tract, uses angiotensin-converting enzyme 2 (ACE2) as a receptor, and is characterized by symptoms of fever, cough, and fatigue. Antivirals and vaccines have provided improvements in some cases, but the discovery of a new and diverse variety of viruses with outbreaks has posed a challenge in timely treatments for medical scientists. Currently, few specific antiviral strategies are being used, and many of the effective antiviral drugs and reported active molecules are under vital exploration. In this review, with the details of viral diseases, we summarize the current attempts in drug development, epidemiology, and the latest treatments and scientific advancements to combat the COVID-19 epidemic. Moreover, we discuss ways to reduce epidemics and pandemics in the near future.

Landfill site selection in Makkah using geographic information system and analytical hierarchy process.

Municipal solid waste is a problem to developed and developing cities in the world. If municipal solid waste is not managed well, it can be a source of numerous contaminants to water, air, and soil. Although landfill is at the bottom in terms of priorities of municipal solid waste management techniques, its applicability cannot be neglected in developing economies. Landfill site selection is a hard puzzle comprised of political, social, economic, and environmental factors. Makkah, Saudi Arabia, is targeting 30 million pilgrims by 2030, putting the city in a difficult circumstance: More pilgrims, more municipal solid waste. The current dump site, Kakia, is expected to be full by 2020; thus, there is a need to locate a new landfill site. In 20 years, Makkah is expected to produce 44 million tonnes of municipal solid waste, which requires approximately a 7.5 m × 5,874,000 square meter landfill capacity. In this study, a geographic information system, analytical hierarchy process, vertical electrical sounding, and ground-penetrating radar are applied to select the best new landfill site for Makkah. By combining these techniques, there are three suitable site locations: (39°36 ́38.45 ́ ́E: 21°18 ́26.46 ́ ́N), (39°37 ́54.07 ́ ́E: 21°19 ́35.25 ́ ́N), and (39°44 ́04.45 ́ ́E: 21°13 ́08.93 ́ ́N). These sites have a considerable depth to water table of 12 m. Therefore, the city of Makkah should use these findings to establish a sanitary landfill.

A facile polymerisation of magnetic coal to enhanced phosphate removal from solution.

Globally, there are increased threats to available freshwater resources due to pollution, climate change, and increased demand from population growth. Phosphorus is one of the essential nutrients required for animal and plant growth. However, when it is released into freshwater resources in excess amounts, it can become a pollutant through eutrophication. This study aimed to enhance the removal of phosphate from water using modified coal. The coal was magnetised by in-situ synthesis using a precipitation technique. To obtain functional groups and mechanical stability, magnetised coal particles were coated with polyaniline, via the polymerisation of aniline to form Magnetised Unburnt Coal Polyaniline (MUC-PANI). The properties of MUC-PANI were investigated using TGA, BET, XRD, Raman spectroscopy, SEM, and FTIR. TGA reviewed MUC-PANI as 58% magnetised coal and 42% polyaniline, while the specific surface area increased from 30.0 to 42.2 m2/g after modification. SEM indicated a cauliflower structure on the surface of MUC-PANI due to the successful polymerisation of polyaniline. The FTIR spectrum showed successful adsorption of phosphate due to the formation of incipient peak at1008 cm-1. The adsorption kinetic data are better fitted to the Elovich model. The Langmuir adsorption capacity of MUC-PANI is 147.1 mg PO43-/g at 25 °C and pH 5.0 (initial concentration 10-200 mg/L, dose 0.8 g/L). MUC-PANI is a cost-efficient compound for removal of phosphate because it is made from readily available coal.