Drug repositioning is a method of using authorized drugs for other unusually complex diseases. Compared to new drug development, this method is fast, low in cost, and effective. Through the use of outstanding bioinformatics tools, such as computer-aided drug design (CADD), computer strategies play a vital role in the re-transformation of drugs. The use of CADD's special strategy for target-based drug reuse is the most promising method, and its realization rate is high. In this review article, we have particularly focused on understanding the various technologies of CADD and the use of computer-aided drug design for target-based drug reuse, taking COVID-19 and cancer as examples. Finally, it is concluded that CADD technology is accelerating the development of repurposed drugs due to its many advantages, and there are many facts to prove that the new ligand-targeting strategy is a beneficial method and that it will gain momentum with the development of technology.

The herb Hypericum perforatum, also referred to as St. John's wort, has drawn a lot of interest because of its potential therapeutic benefits in treating neurodegenerative illnesses. Due to the absence of effective therapies, illnesses like Alzheimer's and Parkinson's disease pose an increasing worldwide health concern. Because of its wide variety of phytochemicals, especially hyperforin, and hypericin, Hypericum perforatum is well known for its neuroprotective properties. These substances have proven to be able to affect different cellular processes linked to neurodegeneration. They can act as anti-inflammatory, antioxidant, and neurotransmitter system regulators, which may help halt neurodegenerative illnesses' progression. The use of Hypericum perforatum extracts and its contents has shown encouraging results in research on animal models of neurodegenerative disorders. These advantages include higher nerve cell survival, lowered oxidative stress, and higher cognitive performance. Underscoring its versatile potential to combat neurodegeneration, Hypericum perforatum has neuroprotective mechanisms that modulate neuroinflammation and prevent apoptotic pathways. In conclusion, Hypericum perforatum shows tremendous promise as a potential treatment for neurological illnesses due to its wide variety of phytochemicals. To completely comprehend its specific mechanisms of action and turn these discoveries into efficient clinical therapies, additional research is needed. Investigating Hypericum perforatum's function in neurodegenerative disorders may present new opportunities for the advancement of ground-breaking therapeutic strategies.

A reverse-phase high-performance liquid chromatographic (RP-HPLC) method was developed to analyze the simultaneous estimation of doxorubicin and clotrimazole. The method was achieved by Nucleodur C18 column with dimension 250 × 4.6 mm (5 μm) using gradient elution. The mobile phase contained 0.2% formic acid (pH 3.2) and acetonitrile. The flow rate was kept at 1.0 mL/min and detection and quantitation of both drugs (doxorubicin and clotrimazole) were achieved using a photodiode array detector at 276 nm, which was the isosbestic point for both drugs. The proposed method was validated according to the current International Council for Harmonization of Technical Requirements of Pharmaceuticals for Human Use guidelines for specificity, linearity, accuracy, precision, and robustness. The developed method showed a linear response (R2 > 0.999), and was accurate (recoveries 97%-103%), precise (resolution ≤1.0%), sensitive, and specific. Thus, the developed RP-HPLC method for the simultaneous estimation of both drugs was successfully validated and can be utilized for the estimation of these drugs in the formulations being developed.

AbstractDue to their fascinating biological features, heterocyclic compounds and their derivatives have long been recognized as promising molecules with potential pharmaceutical applications. The significance of heterocyclic compounds in drug discovery and development is evident from the fact that a majority of drugs in the pharmaceutical market incorporate heterocyclic compounds as active substances or ingredients. Various synthetic methods and advancements have been devised to prepare these heterocyclic compounds using diverse catalysts under mild reaction conditions. SO3H functionalized carbon material (C‐SO3H) is heterogeneous green solid catalyst that has been employed to catalyze diverse organic reactions including construction of three‐, four‐, five‐, six‐member and fused heterocycles as well as other open chain organic transformations. The C‐SO3H catalyst works under relatively mild reaction conditions and recovered from the reaction mixtures for reuse. Various cheap carbon sources covering natural organic carbon matter and industrial waste already being used to synthesize SO3H‐functionalized acidic carbon catalyst for replacement of various homogeneous acid catalysts. The present review aims to highlight the organic reactions especially those connecting for heterocyclic synthesis catalyzed by sulfonated carbons (C‐SO3H) from 2010 to till date.

ABSTRACT Background: The memory-related side-effects rank among the strongest reasons for hostility against Modified Electroconvulsive Therapy (MECT). Most of the studies comparing the Unilateral v/s Bilateral Electrode placements on memory have been conducted on patients with depression while very few studies have been conducted on patients with psychosis in the Indian population. Aim: To compare the effects of right unilateral (RU/L) and bilateral (B/L) MECT on the severity of symptoms as well as memory in patients with psychosis after the fourth session and two weeks after the final session of the MECT. Materials and Methods: One hundred patients having a psychotic illness were randomized into either RU/L or B/L group. Comprehensive psychopathological rating scale (CPRS), clinical global impressions scale (CGI-S), and PGI-memory scale were applied before starting of MECT, after four sessions of MECT and two weeks after the last session of ECT. Results: The results show similar symptomatic improvement in patients receiving RU/L and B/L MECT and the results persisted beyond the therapy sessions. But, in the case of RU/L-MECT group, the deterioration in memory was less as compared to the B/L-MECT group. Both groups had no significant difference in psychopathology and its severity (CPRS and CGI). Both groups were significantly different in memory side effects after the fourth session and two weeks after the last session. Both groups showed a consistent downward trend in psychopathology and its severity. The consistent fall in the total PGI scores remained even after two weeks of the final session in the B/L group (total of six points as compared to baseline) while it came to baseline levels in the RU/L group. Both groups differed significantly in total PGI scores after the fourth session and two weeks after the final session. Conclusion: This study points toward a favorable outcome in the case of therapeutic response with MECT without any significant difference between both types of electrode placements and even after stopping MECT, the improvement appears to be stable over time. Although, there was a side-effect of memory impairment, it appears to be for a shorter duration and it improves with time. The side-effect profile of RU/L electrode placement is lower as compared to bilateral placement. In the post-MECT period, the patients receiving MECT with RU/L electrode placement showed better improvement in memory functions.

Distinct types of materials are being explored for usage in thermoelectric (TE) and photovoltaic (PV) systems in order to alleviate the energy problem. In order to create nontoxic, more stable, and best-performance energy convergence devices, the state-of-the-art hybrid halide double perovskites (HHDPs) compound has been identified as a potential TE material and potential replacement for hazardous lead. We have proposed a new HHDP material (CH3NH[Formula: see text]AgInCl6 and performed its theoretical investigation via the full potential linear augmented plane wave (FP-LAPW) method. The computational results show that the studied compound exhibits a direct bandgap of 3.708[Formula: see text]eV and has exceptional PV characteristics in the ultraviolet (UV) region. The obtained thermodynamic (TD) characteristics confirm that the titled compound is thermally stable at various temperatures and pressures. At 300 K, the examined HHDP material has the highest ZT (=2.23) in the p-region. Materials with higher ZTe values are substantially more important for generating electrical energy through waste heat. The ZTe result validates the use of these materials in TE devices at ambient temperature. The parameters of this compound have been computed for the first time. This study identifies (CH3NH[Formula: see text]AgInCl6 as a novel HHDP compound. Through an in-depth exploration of its properties, this study offers valuable insight for further research with potential applications in clean energy systems.

Long non-coding RNAs (lncRNAs) have been demonstrated to have a crucial function in the modulation of the activity of genes, impacting a variety of homeostatic processes involving growth, survival, movement, and genomic consistency. Certain lncRNAs' aberrant expression has been linked to carcinogenesis, tumor growth, and therapeutic resistance. They are beneficial for the management of malignancies since they can function as cancer-causing or cancer-suppressing genes and behave as screening or prognosis indicators. The modulation of the tumor microenvironment, metabolic modification, and spread have all been linked to lncRNAs in lung cancer. Recent research has indicated that lncRNAs may interact with various mTOR signalling systems to control expression in lung cancer. Furthermore, the route can affect how lncRNAs are expressed. Emphasizing the function of lncRNAs as crucial participants in the mTOR pathway, the current review intends to examine the interactions between the mTOR cascade and the advancement of lung cancer. The article will shed light on the roles and processes of a few lncRNAs associated with the development of lung cancer, as well as their therapeutic prospects.

Oroxylin A (ORA), a natural compound found in plants, has emerged as a promising therapeutic agent against liver fibrosis, cancer, and inflammatory diseases. Chronic inflammation fuels cancer development and progression by promoting cellular transformation, survival, invasion, and metastasis, while cancer can create an inflammatory microenvironment, further enhancing its growth and invasiveness. Inflammasome activation also plays a crucial role in liver fibrosis which is characterized by the abnormal accumulation of extracellular matrix components in the liver. This review aims to explore the efficacy of ORA and its mechanisms of action in these disease contexts. ORA targets hepatic stellate cells, key players in the development of liver fibrosis. By modulating signaling pathways such as transforming growth factor-beta (TGF-β), mitogen-activated protein kinase (MAPK) pathways, and nuclear factor-kappa B (NF-κB), ORA effectively inhibits HSC activation and reduces the production of excessive extracellular matrix proteins. ORA exhibits a multitude of beneficial effects in cancer treatment. It demonstrates anti-proliferative, pro-apoptotic, anti-metastatic, and anti-angiogenic properties by interfering with various molecular pathways involved in cancer progression. ORA displays anti-inflammatory properties by suppressing the production of proinflammatory cytokines and influencing signaling pathways. This mechanism allows ORA to mitigate inflammation, a hallmark of many diseases, including inflammatory conditions. The therapeutic potential of ORA opens up new avenues for drug discovery and development. Ongoing research focuses on exploring new plant sources and novel compounds to expand the range of natural therapeutic candidates. Overall, this review highlights the comprehensive potential of ORA as a safe therapeutic agent. In the field of chronic diseases, ORA has demonstrated anti-inflammatory, anti-fibrotic, and anti-cancer potentials, making it an interesting compound for research