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991.
Guru R. Valicherla Roshan A. Katekar Shailesh Dadge Mohammed Riyazuddin Anees A. Syed Sandeep K. Singh Athar Husain Muhammad Wahajuddin Jiaur R. Gayen 《Molecules (Basel, Switzerland)》2022,27(2)
PSTi8 is a pancreastatin inhibitory peptide that is effective in the treatment of diabetic models. This study investigates the pharmacokinetic (PK) properties of PSTi8 in Sprague Dawley rats, for the first time. In vitro and in vivo PK studies were performed to evaluate the solubility, stability in plasma and liver microsomes, plasma protein binding, blood–plasma partitioning, bioavailability, dose proportionality, and gender difference in PK. Samples were analyzed using the validated LC-MS/MS method. The solubility of PSTi8 was found to be 9.30 and 25.75 mg/mL in simulated gastric and intestinal fluids, respectively. The protein binding of PSTi8 was estimated as >69% in rat plasma. PSTi8 showed high stability in rat plasma and liver microsomes and the blood–plasma partitioning was >2. The bioavailability of PSTi8 after intraperitoneal and subcutaneous administration was found to be 95.00 ± 12.15 and 78.47 ± 17.72%, respectively, in rats. PSTi8 showed non-linear PK in dose proportionality studies, and has no gender difference in the PK behavior in rats. The high bioavailability of PSTi8 can be due to high water solubility and plasma protein binding, low clearance and volume of distribution. Our in vitro and in vivo findings support the development of PSTi8 as an antidiabetic agent. 相似文献
992.
Nasima Arshad Muhammad Ismail Mir Fouzia Perveen Aneela Javed Memona Javaid Aamer Saeed Pervaiz Ali Channar Shahid Iqbal Farooqi Saad Alkahtani Jamshed Anwar 《Molecules (Basel, Switzerland)》2022,27(2)
Imidazolidine and thiazolidine-based isatin derivatives (IST-01–04) were synthesized, characterized, and tested for their interactions with ds-DNA. Theoretical and experimental findings showed good compatibility and indicated compound–DNA binding by mixed mode of interactions. The evaluated binding parameters, i.e., binding constant (Kb), free energy change (ΔG), and binding site sizes (n), inferred comparatively greater and more spontaneous binding interactions of IST-02 and then IST-04 with the DNA, among all compounds tested under physiological pH and temperature (7.4, 37 °C). The cytotoxic activity of all compounds was assessed against HeLa (cervical carcinoma), MCF-7 (breast carcinoma), and HuH-7 (liver carcinoma), as well as normal HEK-293 (human embryonic kidney) cell lines. Among all compounds, IST-02 and 04 were found to be cytotoxic against HuH-7 cell lines with percentage cell toxicity of 75% and 66%, respectively, at 500 ng/µL dosage. Moreover, HEK-293 cells exhibit tolerance to the increasing drug concentration, suggesting these two compounds are less cytotoxic against normal cell lines compared to cancer cell lines. Hence, both DNA binding and cytotoxicity studies proved imidazolidine (IST-02) and thiazolidine (IST-04)-based isatin derivatives as potent anticancer drug candidates among which imidazolidine (IST-02) is comparatively the more promising. 相似文献
993.
Hebah Muhsien Sabiah AL Ubeed Deep Jyoti Bhuyan Muhammad A. Alsherbiny Amrita Basu Quan V. Vuong 《Molecules (Basel, Switzerland)》2022,27(3)
Cannabis is well-known for its numerous therapeutic activities, as demonstrated in pre-clinical and clinical studies primarily due to its bioactive compounds. The Cannabis industry is rapidly growing; therefore, product development and extraction methods have become crucial aspects of Cannabis research. The evaluation of the current extraction methods implemented in the Cannabis industry and scientific literature to produce consistent, reliable, and potent medicinal Cannabis extracts is prudent. Furthermore, these processes must be subjected to higher levels of scientific stringency, as Cannabis has been increasingly used for various ailments, and the Cannabis industry is receiving acceptance in different countries. We comprehensively analysed the current literature and drew a critical summary of the extraction methods implemented thus far to recover bioactive compounds from medicinal Cannabis. Moreover, this review outlines the major bioactive compounds in Cannabis, discusses critical factors affecting extraction yields, and proposes future considerations for the effective extraction of bioactive compounds from Cannabis. Overall, research on medicinal marijuana is limited, with most reports on the industrial hemp variety of Cannabis or pure isolates. We also propose the development of sustainable Cannabis extraction methods through the implementation of mathematical prediction models in future studies. 相似文献
994.
Yu Luo Yuqing Jian Yingkai Liu Sai Jiang Daniyal Muhammad Wei Wang 《Molecules (Basel, Switzerland)》2022,27(3)
Flavanols, a common class of secondary plant metabolites, exhibit several beneficial health properties by acting as antioxidant, anticarcinogen, cardioprotective, anti-microbial, anti-viral, and neuroprotective agents. Furthermore, some flavanols are considered functional ingredients in dairy products. Based on their structural features and health-promoting functions, flavanols have gained the attention of pharmacologists and botanists worldwide. This review collects and summarizes 121 flavanols comprising four categories: flavan-3-ols, flavan-4-ols, isoflavan-4-ols, and flavan-3,4-ols. The research of the various structural features and pharmacological activities of flavanols and their derivatives aims to lay the groundwork for subsequent research and expect to provide mentality and inspiration for the research. The current study provides a starting point for further research and development. 相似文献
995.
Danish Iqbal Syed Mohd Danish Rizvi Md Tabish Rehman M. Salman Khan Abdulaziz Bin Dukhyil Mohamed F. AlAjmi Bader Mohammed Alshehri Saeed Banawas Qamar Zia Mohammed Alsaweed Yahya Madkhali Suliman A. Alsagaby Wael Alturaiki 《Entropy (Basel, Switzerland)》2022,24(5)
Neurodegenerative disorders involve various pathophysiological pathways, and finding a solution for these issues is still an uphill task for the scientific community. In the present study, a combination of molecular docking and dynamics approaches was applied to target different pathways leading to neurodegenerative disorders such as Alzheimer’s disease. Initially, abrineurin natural inducers were screened using physicochemical properties and toxicity assessment. Out of five screened compounds, a pentacyclic triterpenoid, i.e., Soyasapogenol B appeared to be the most promising after molecular docking and simulation analysis. Soyasapogenol B showed low TPSA (60.69), high absorption (82.6%), no Lipinski rule violation, and no toxicity. Docking interaction analysis revealed that Soyasapogenol B bound effectively to all of the targeted proteins (AChE, BuChE MAO-A, MAO-B, GSK3β, and NMDA), in contrast to other screened abrineurin natural inducers and inhibitors. Importantly, Soyasapogenol B bound to active site residues of the targeted proteins in a similar pattern to the native ligand inhibitor. Further, 100 ns molecular dynamics simulations analysis showed that Soyasapogenol B formed stable complexes against all of the targeted proteins. RMSD analysis showed that the Soyasapogenol B–protein complex exhibited average RMSD values of 1.94 Å, 2.11 Å, 5.07 Å, 2.56 Å, 3.83 Å and 4.07 Å. Furthermore, the RMSF analysis and secondary structure analysis also indicated the stability of the Soyasapogenol B–protein complexes. 相似文献
996.
Abdul Sadiq Mater H. Mahnashi Umer Rashid Muhammad Saeed Jan Mohammed Abdulrahman Alshahrani Mohammed A. Huneif 《Molecules (Basel, Switzerland)》2022,27(10)
The chiral drug candidates have more effective binding affinities for their specific protein or receptor site for the onset of pharmacological action. Achieving all carbon stereopure compounds is not trivial in chemical synthesis. However, with the development of asymmetric organocatalysis, the synthesis of certain vital chiral drug candidates is now possible. In this research, we have synthesized 3-(((1S,3S)-3-((R)-hydroxy(4-(trifluoromethyl)phenyl)methyl)-4-oxocyclohexyl)methyl)pentane-2,4-dione (S,S,R-5) and have evaluated it potential as multi-target antidiabetic agent. The stereopure compound S,S,R-5 was synthesized with a 99:1 enantiomeric ratio. The synthesized compound gave encouraging results against all in vitro antidiabetic targets, exhibiting IC50 values of 6.28, 4.58, 0.91, and 2.36 in α-glucosidase, α-amylase, PTP1B, and DPPH targets, respectively. The molecular docking shows the binding of the compound in homology models of the respective enzymes. In conclusion, we have synthesized a new chiral molecule (S,S,R-5). The compound proved to be a potential inhibitor of the tested antidiabetic targets. With the observed results and molecular docking, it is evident that S,S,R-5 is a potential multitarget antidiabetic agent. Our study laid the baseline for the animal-based studies of this compound in antidiabetic confirmation. 相似文献
997.
Kian-Kai Cheng Muhammad Helmi Nadri Nor Zalina Othman Siti Nor Azlina Abd Rashid Ying-Chin Lim Hong-Yeng Leong 《Molecules (Basel, Switzerland)》2022,27(11)
Michelia × alba (M. alba) is a flowering tree best known for its essential oil, which has long been used as a fragrance ingredient for perfume and cosmetics. In addition, the plant has been used in traditional medicine in Asia and dates back hundreds of years. To date, there is a limited number of publications on the bioactivities of M. alba, which focused on its tyrosinase inhibition, antimicrobial, antidiabetic, anti-inflammatory, and antioxidant activities. Nevertheless, M. alba may have additional unexplored bioactivities associated with its bioactive compounds such as linalool (72.8% in flower oil and 80.1% in leaf oil), α-terpineol (6.04% flower oil), phenylethyl alcohol (2.58% flower oil), β-pinene (2.39% flower oil), and geraniol (1.23% flower oil). Notably, these compounds have previously been reported to exhibit therapeutic activities such as anti-cancer, anti-inflammation, anti-depression, anti-ulcer, anti-hypertriglyceridemia, and anti-hypertensive activities. In this review paper, we examine and discuss the scientific evidence on the phytochemistry, bioactivities, and traditional uses of M. alba. Here, we report a total of 168 M. alba biological compounds and highlight the therapeutic potential of its key bioactive compounds. This review may provide insights into the therapeutic potential of M. alba and its biologically active components for the prevention and treatment of diseases and management of human health and wellness. 相似文献
998.
Mohammed A. Huneif Seham M. Alqahtani Alqahtani Abdulwahab Sultan A. Almedhesh Mater H. Mahnashi Muhammad Riaz Najm Ur-Rahman Muhammad Saeed Jan Farhat Ullah Muhammad Aasim Abdul Sadiq 《Molecules (Basel, Switzerland)》2022,27(11)
Diabetes mellitus is a metabolic disorder and is a global challenge to the current medicinal chemists and pharmacologists. This research has been designed to isolate and evaluate antidiabetic bioactives from Fragaria indica. The crude extracts, semi-purified and pure bioactives have been used in all in vitro assays. The in vitro α-glucosidase, α-amylase and DPPH free radical activities have been performed on all plant samples. The initial activities showed that ethyl acetate (Fi.EtAc) was the potent fraction in all the assays. This fraction was initially semi-purified to obtain Fi.EtAc 1–3. Among the semi-purified fractions, Fi.EtAc 2 was dominant, exhibiting potent IC50 values in all the in vitro assays. Based on the potency and availability of materials, Fi.EtAc 2 was subjected to further purification to obtain compounds 1 (2,4-dichloro-6-hydroxy-3,5-dimethoxytoluene) and 2 (2-methyl-6-(4-methylphenyl)-2-hepten-4-one). The two isolated compounds were characterized by mass and NMR analyses. The compounds 1 and 2 showed excellent inhibitions against α-glucosidase (21.45 for 1 and 15.03 for 2 μg/mL), α-amylase (17.65 and 16.56 μg/mL) and DPPH free radicals (7.62 and 14.30 μg/mL). Our study provides baseline research for the antidiabetic bioactives exploration from Fragaria indica. The bioactive compounds can be evaluated in animals-based antidiabetic activity in future. 相似文献
999.
Khasan S. Karimov Mohammad Mahroof-Tahir Muhammad Saleem Zubair Ahmad 《Physica B: Condensed Matter》2011,406(15-16):3011-3017
In this study, we have investigated the current–voltage characteristics of the Schottky diodes of two vanadium complexes, VO2(3-fl) (1) (3-fl=3-hydroxyflavone) and VO(acac)2 (2), (acac=acetylacetonate), and their composites with TiO2. Thin films of vanadium complexes and their composites were deposited by the centrifugation method. Current–voltage characteristics of the samples were processed by the modified Shockley equation, Cheung functions and space-charge limited currents (SCLC) approaches. Different junction parameters, such as series resistances, reverse saturation currents, ideality factors and barrier height of the samples, were determined. 相似文献
1000.
Nnabuk Okon Eddy Udo John Ibok Rajni Garg Rishav Garg Amjad Iqbal Muhammad Amin Faisal Mustafa Mehmet Egilmez Ahmed M. Galal 《Molecules (Basel, Switzerland)》2022,27(9)
The corrosion of metals, i.e., the initiation and acceleration of the surface deterioration of metals through an electrochemical reaction with the surrounding intrusive environment, is a global concern because of the economic and environmental impacts. Corrosion inhibitors are considered the most practical choice among the available corrosion protection techniques due to their effectiveness in terms of functionality and cost. The use of traditional and toxic corrosion inhibitors has led to environmental issues, arousing the need for green counterparts that are environmentally friendly, easily accessible, biodegradable, and cost-effective. In this review, the utilization of green corrosion inhibitors purely acquired from renewable sources is explored, with an in-depth focus on the recent advancements in the use of fruit and vegetable extracts as green corrosion inhibitors. In particular, fruits and vegetables are natural sources of various phytochemicals that exhibit key potential in corrosion inhibition. To shed light on the true potential of such extracts in the protection of steel in acidic environments, the experimental techniques involved in corrosion inhibition and the mechanism of corrosion inhibition are discussed in detail. The study highlights the potential of fruit and vegetable extracts as non-toxic, economical, and effective corrosion inhibitors in the pursuit of green chemistry. In addition to discussing and outlining the current status and opportunities for employing fruit and vegetable extracts as corrosion inhibitors, the current review outlines the challenges involved in the utilization of such extracts in corrosion inhibition. 相似文献