UCP Journal of Science & Technology

Emerging Perception of Activity Cliffs: A Brief Review

Hafiz Saqib Ali — Mon, 01 Apr 2024 00:00:00 +0000

Activity cliffs (ACs) can be characterized as the collection of structurally similar molecules with significant differences in their potencies. Such molecules are of core importance in medicinal and computational chemistry as any minute change in their structure greatly influences their biological action. They play an important role in the optimization during drug discovery and can be analyzed by structure-activity relationships (SAR), but the factors like the molecular representation, selection of the data sets, and the descriptor used greatly affect the end results. Due to these factors, ACs were thought to be a rarity as the concept is contrary to the similarity property principle (SPP), which forms the basis of quantitative structure-activity relationship (QSAR) modeling and likeness based strategies. Today, the data available on activity cliffs has been refined as well as increased a lot. In this review, we have highlighted the factors that are important in analyzing ACs and selecting the data sets for the analysis. Moreover, several strategies including matched molecular pairs (MMP) have been developed. MMP is mostly used for finding similar molecules but having a different group(s) responsible for the change in their potency. Furthermore, the role of ML (machine learning) in ACs has also been discussed as it could further refine the analysis of ACs by developing various logarithms and minimizing the faulty results.

Multiple Sclerosis: A Review of The Epidemiology, Pathogenesis, Genetics, And Molecular Characteristics

Abdulrhman Almadiny, Badr Almadiny, Ibrahem Almadini — Mon, 01 Apr 2024 00:00:00 +0000

MS is an autoimmune and inflammation-mediated syndrome that causes
neurodegeneration and makes the sufferer disabled and incapacitated. The clinical
patterns and susceptibility to the disease are different in different populations. Since 1990,
The occurrence of MS has risen in various geographic areas, particularly in counties of
low and middle income, imposing significant health care and economic burden. Most
cases of MS are sporadic but 20% are acquired. Familial Multiple Sclerosis (FMS) is
characterized by the presence of at least one affected family member, including those
related by first, second, or third-degree connections to the pro-bands. It is estimated to
have a global prevalence of approximately 12.6%. The prevalence of MS ranges widely
among Arabs and is lower than in Western countries but the rate is expected to increase
over time and thus required the attention of the scientific world. The etiological features
of the disorder are still unknown and extensive genetic level research is still required to
make progress in understanding the causation of the disease. Furthermore, future
investigations should include well-designed clinical trials examining the efficacy and
safety of licorice-derived drugs in MS patients to bridge the gap between preclinical
discoveries and clinical applications. These trials can provide useful insights into the realworld
applicability of licorice-based treatments, perhaps influencing their incorporation
into routine MS treatment procedures. This study will provide insight for future
researchers who are willing to work in the area of medical genetics.

Hepatitis C virus infection and its correlation with multiple risk factors in local population of Gujranwala Pakistan

Iram Amjad, Mubasher Hassan, Syed Zeeshan Haidar, Dilawar Hussain — Mon, 01 Apr 2024 00:00:00 +0000

Hepatitis C virus is a single-stranded RNA virus belonging to the family of Flaviviridae that affects 71 million people in the world. In Pakistan, the occurrence of HCV is 10 million and national efforts are required to identify people. The current study was therefore planned to assess the occurrence of HCV relative to risk factors among the local population of Gujranwala, Pakistan. The viral infection was analyzed qualitatively by using PCR / third-generation ELISA, detailed history, and clinical examination. Data entered in already prepared Performa. For data analysis, SPSS 14 was used. Descriptive statistics mean + standard deviation was used. LFTs have been performed. In the present study, a total of 320 patients (183 females and 137 males) were included. There were 172 (97 females and 75 males) patients diagnosed with HCV while 148 (85 females and 63 males) patients were non-infected. HCV-infected patients were 53.75% and non-infected were 46.25%. There were some additional diseases, 84 patients with HCV patients have diabetes mellitus, 34 patients have smoking addiction and 93 have hypertension. When the ratio between LFTs was observed for non-HCV and HCV patients it is revealed that it was greater in HCV patients. Numerous complications observed like ascites, diabetes mellitus, and splenomegaly. Numerous risk factors were observed in this trial, the most dangerous are the dentist procedures followed by frequent vaccinations, surgery, nose/ear piercing, shaving by barber, blood transfusion, and Jaundice. The result of this study showed that HCV patients have a significantly short life span.

Essential oils and aqueous ethanolic constituents from Juniperus excelsa exert antidiabetic effects on Alloxaninduced diabetes in rats

Rizwan Hafeez, Alamgeer Yuchi, Naveed Mushtaq — Mon, 01 Apr 2024 00:00:00 +0000

Diabetes mellitus is a complicated metabolic disorder with 4.4% of estimated prevalence
by 2030 which is quite high as compared to 2002 which is 2.2%. This disease is not
curable with any of the available anti-diabetic agents in the market, furthermore, several
other issues with these agents including cost and side effects are provoking us to look for
some newer anti-diabetic agents. The aim of this study was to evaluate the anti-diabetic
activity of essential oil and aqueous ethanolic extract of Juniperus excelsa, which was
selected on the basis of its traditional use. The anti-diabetic activity of aqueous ethanolic
extract (100, 200 mg/kg) and essential oil (100, 200mg/kg) of the plant was evaluated in
normal and alloxan (150mg/kg, I.P.) induced diabetic rats in acute study as well as in 14
days of chronic study. Hepatic as well as lipid profiles were also evaluated at the end of
the study. The results showed a significant reduction in blood glucose levels with crude
extract as compared to essential oil, in a dose-dependent manner, in acute as well as 14
days chronic study. Similarly, in hepatic and lipid profile evaluation more significant
results were shown by the crude extract than the essential oil. The difference in results for
crude extract and essential oil might be due to the presence of different phytochemicals.
Although natural products are beneficial for various diseases and are used traditionally
they have multiple issues involving oral absorption, bioavailability, and pharmacokinetics
that still have room for further exploration.

Numerical Modelling and Rugged Techniques for De-orbiting of LEO Space Debris

Mon, 01 Apr 2024 00:00:00 +0000

According to the statistics of Space Surveillance Network (SSN), approximately 200 on-orbit and 54 strident events occurred which smashed the debris into smaller segments. It is essentially needed to identify intentional hypervelocity impacts, unintentional collision between satellite and explosion of satellites that create a debris cloud. Space debris (failed satellites and upper stage rockets etc) occupy large space in LEO, MEO and GEO altitudes, which may pose threat to operational and future missions. There are multiple techniques for reducing the impending space debris through targeted deterrent measures, such as, passivation measure or active de-orbiting. This paper presents the numerical modeling technique for identification of debris clusters based on density distribution, A/m ratio and explosion velocity. The breakup events of Fengyun-1C, NOAA-16, Iridium 33 and Cosmos 2251 have been considered and classical orbital elements using statistical tools. A rugged technique is devised for the removal of millimeter and centimeter level debris fragments. It is a cost-efficient yet effective approach, implemented with aid of a Hoover Capturing System (HCS). This system is composed of a current carrying conductor which produces a magnetic field similar to that of a bar magnet. The target fragments would be captured by HCS on close approach of the system. Afterwards, HCS would be transferred into the low parking orbit where it would dispose of junk through the window of opportunity. Ultimately, fragments would be burnt on reentry into lower altitude by atmospheric drag. This technique is very rugged, cost-efficient and effective can be utilized for frequent cycles.