Current drug discovery technologies最新文献

{"title":"Effects of combined Garcinia kola and Kigelia africana on Insulin and Paraoxonase 1 (PON1) levels in type 2 diabetic rats.","authors":"Omoaghe Adams O, Oyesola O, Ezike Tony, Omizu Blessing, B. Kukoyi","doi":"10.2174/1570163819666220408100011","DOIUrl":"https://doi.org/10.2174/1570163819666220408100011","url":null,"abstract":"BACKGROUND\u0000Several reports of individual extracts of Garcina kola and Kigelia africana beneficial effects against several factors related with development of diabetes mellitus abound. However, there is still lack of information about the combined effects of these extracts on Insulin and Paraoxonase 1 (PON-1) in Streptozotocin-Nicotinamide induced type-2 diabetic Wistar rats.\u0000\u0000\u0000METHODS\u0000Forty-two young male rats (180-200g) were randomly divided into six groups (n=7/group). Diabetes was intraperitoneally induced with 110 mg/kg of nicotinamide constituted in distilled water andfifteen minutes after with 65mg/kg of streptozocin freshly prepared in 0.1M citrate buffer (pH of 4.5) and treated for six weeks as follows: the control rats received either 0.9% normal saline (NS) or 250mg/kg extract by gavage. The remaining animals were diabetic induced and subsequently treated with either NS, graded doses of the extract (250mg/kg and 500mg/kg) or 5mg/kg Glibenclamide + 100mg/kg Metformin. Gas chromatography mass spectrometry (GCMS) of the combined extracts was also analyzed to identify the bioactive compounds present. Insulin, PON-1 levels, lipid profiles and atherogenic index were assessed.\u0000\u0000\u0000RESULTS\u0000Our findings show that Insulin and PON-1 levels in the plasma of diabetic rats treated with the combined extracts were significantly increased when compared to the control rats. Moreover, the GCMS of the extract show the presence of both monosaturated (oleic acid) and polyunsaturated (linoleic acid) fatty acids.\u0000\u0000\u0000CONCLUSION\u0000The current findings suggest that the extract may help improve glucose homeostasis, prevent atherosclerosis through established mechanism of the identified bioactive compounds.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46828248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cancer Chemotherapy via Natural Bioactive Compounds.","authors":"K. Pathak, M. Pathak, Riya Saikia, Urvashee Gogoi, J. Sahariah, J. H. Zothantluanga, Abhishek Samanta, Aparoop Das","doi":"10.2174/1570163819666220331095744","DOIUrl":"https://doi.org/10.2174/1570163819666220331095744","url":null,"abstract":"BACKGROUND\u0000Cancer-induced mortality is increasingly prevalent globally which skyrocketed the necessity to discover new/novel safe and effective anticancer drugs. Cancer is characterized by the continuous multiplication of cells in the human which is unable to control. Scientific research is drawing its attention towards naturally-derived bioactive compounds as they have fewer side effects compared to the current synthetic drugs used for chemotherapy.\u0000\u0000\u0000OBJECTIVE\u0000Drugs isolated from natural sources and their role in the manipulation of epigenetic markers in cancer are discussed briefly in this review article.\u0000\u0000\u0000METHODS\u0000With advancing medicinal plant biotechnology and microbiology in the past century, several anticancer phytomedicines were developed. Modern pharmacopeia contains at least 25% herbal-based remedy including clinically used anticancer drugs. These drugs mainly include the podophyllotoxin derivatives vinca alkaloids, curcumin, mistletoe plant extracts, taxanes, camptothecin, combretastatin, and others including colchicine, artesunate, homoharringtonine, ellipticine, roscovitine, maytanasin, tapsigargin,andbruceantin.\u0000\u0000\u0000RESULTS\u0000Compounds (psammaplin, didemnin, dolastin, ecteinascidin,and halichondrin) isolated from marine sources and animals such as microalgae, cyanobacteria, heterotrophic bacteria, invertebrates. They have been evaluated for their anticancer activity on cells and experimental animal models and used chemotherapy.Drug induced manipulation of epigenetic markers plays an important role in the treatment of cancer.\u0000\u0000\u0000CONCLUSION\u0000The development of a new drug from isolated bioactive compounds of plant sources has been a feasible way to lower the toxicity and increase their effectiveness against cancer. Potential anticancer therapeutic leads obtained from various ethnomedicinal plants, foods, marine, and microorganisms are showing effective yet realistically safe pharmacological activity. This review will highlight important plant-based bioactive compounds like curcumin, stilbenes, terpenes, other polyphenolic phyto-compounds, and structurally related families that are used to prevent/ ameliorate cancer. However, a contribution from all possible fields of science is still a prerequisite for discovering safe and effective anticancer drugs.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43324811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Systematic Review on Curcumin and Anti-Plasmodium berghei Effects.","authors":"P. Shakib, H. Kalani, J. Ho, Mehrdad Dolatshah, S. Amiri, Kourosh Cheraghipour","doi":"10.2174/1570163819666220315140736","DOIUrl":"https://doi.org/10.2174/1570163819666220315140736","url":null,"abstract":"BACKGROUND\u0000Turmeric (Curcuma longa L.) is a popular spice, containing curcumin that is responsible for its therapeutic effects. Curcumin with anti-inflammatory, antioxidant, anti-cancer, and antimicrobial activities has led to a lot of research focusing on it over the years. This systematic review aimed to evaluate researches on anti-Plasmodium berghei activity of curcumin and its derivatives.\u0000\u0000\u0000METHODS\u0000Our study was performed according to PRISMA guidelines and was recorded in the database of systematic review and preclinical meta-analysis of CAMARADESNC3Rs (SyRF). The search was performed in five databases, namely Scopus, PubMed, Web of Science, EMBASE, and Google Scholar from 2010 to 2020. The following keywords were searched: \"Plasmodium berghei\", \"Medicinal Plants\", \"Curcumin\", \"Concentration\", Animals kind\", \"Treatment Durations\", \"Routes of Administration\" and \"in vivo\".\u0000\u0000\u0000RESULTS\u0000Of the 3,500 papers initially obtained, 14 articles were reliable and were thus scrutinized. Animal models were included in all studies. The most commonly used animal strain were Albino (43%) followed by C57BL/6 (22%). The other studies used various murine strains, including BALB/c (14%) and ICR (7%). Two (14%) studies did not mention the strain of animal model used. Curcumin alone or in combination with other compounds depending on the dose used, route of administration, and animal model showed a moderate to strong anti-Plasmodium berghei effect.\u0000\u0000\u0000CONCLUSION\u0000According to the studies, curcumin has anti-malarial effects on Plasmodium berghei and, however, its effect on human Plasmodium is unclear. Due to the side effects and drug resistance of current drugs in the treatment of human malaria, the use of new compounds with few or no side effects such as curcumin is recommended as an alternative or complementary treatment.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46082352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulatory potential of Citrus sinensis and Moringa oleifera extracts and epiphytes on rat liver mitochondrial permeability transition pore.","authors":"A. Adeoye, J. Falode, T. O. Jeje, Praise T Agbetuyi-Tayo, Sikirat M Giwa, Yesirat O Tijani, Damilola E Akinola","doi":"10.2174/1570163819666220315124507","DOIUrl":"https://doi.org/10.2174/1570163819666220315124507","url":null,"abstract":"BACKGROUND\u0000Bioactive agents from medicinal and dietary plants have been reported to modulate the mitochondrial membrane permeability transition pores.\u0000\u0000\u0000OBJECTIVE\u0000This study investigated the in vitro effects of C. sinensis (CSE) and M. oleifera (MOE) methanol leaf extracts and their epiphytes (CEP and MEP) on mitochondria permeability transition pores.\u0000\u0000\u0000METHODS\u0000In vitro antioxidant activities of the extracts were determined using standard procedures and quantification of polyphenolic compounds in the extracts was done using HPLC-DAD. Opening of the mitochondrial permeability transition pores was assessed as mitochondrial swelling and observed spectrophotometrically as changes in absorbance under succinate-energized conditions. Cytochrome c release was also assessed spectrophotometrically.\u0000\u0000\u0000RESULTS\u0000From the results, CSE, MOE, CEP, and MEP inhibited lipid peroxidation and scavenged nitric oxide and DPPH radicals in a concentration-dependent manner. All extracts exhibited greater ferric reducing antioxidant potential. More so, the results showed that CSE, MOE, CEP, and MEP possess the substantive amount of total flavonoids and total phenolics. CSE and MOE had higher total flavonoids and total phenolic content when compared with the epiphytes. HPLC-DAD results revealed Tangeretin as the most abundant in CSE; Eriocitrin in citrus epiphytes; Moringine in MOE and Flavones in moringa epiphytes. All extracts inhibited calcium-induced opening of the pores in a concentration-dependent manner with C. sinensis leaf extract (CSE) and moringa epiphyte (MEP) being the most potent in this regard with no significant release of cytochrome c at all concentrations.\u0000\u0000\u0000CONCLUSION\u0000The results suggest that CSE and MEP have bioactive agents which could be useful in the management of diseases where too much apoptosis occurs characterized by excessive tissue wastage such as neurodegenerative conditions.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46928295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Genus Zanthoxylum as Sources of Drugs for Treatment of Tropical Parasitic Diseases.","authors":"Kunal Patil, R. Mallya","doi":"10.2174/1570163819666220304203504","DOIUrl":"https://doi.org/10.2174/1570163819666220304203504","url":null,"abstract":"The tropical parasitic infections account to more than 2 billion infections and cause substantial morbidity and mortality, and accounts to several million deaths every year. Majorly parasitic infections in humans and animals are caused by protozoa and helminths. Chronic infections in host can cause retardation, impairment of cognitive skills, development in young children and weaken the immune system. The burden is felt to a greater extent in developing countries due to poverty, inaccessibility to medicines and resistance observed to drugs. Thus, human health continues to be severely harmed by parasitic infections. Medicinal plants have received much attention as alternative sources of drugs. Zanthoxylum genus has been used ethnobotanically as an antiparasitic agent and the phytoconstituents in Zanthoxylum, show wide variety of chemical substances with proven pharmacological actions such as alkaloids (isoquinolines and quinolines responsible for antitumor activity, antimalarial, antioxidant and antimicrobial actions), lignans, coumarins (antibacterial, antitumour, vasodilatory and anticoagulant activities), alkamide (strong insecticidal properties, anthelminthic, antitussive and analgesic anti antimalarial property). Therefore, this article is an attempt to review the existing literature that emphasizes on potential of genus Zanthoxylum as source of lead compounds for treatment of parasitic diseases.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45537846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In vivo and in vitro anti-schistosomiasis effect of garlic (Allium sativum): a systematic review.","authors":"P. Shakib, H. Kalani, Ali Safar Maken Ali, Mustafa Zebardastpour, K. Moradpour, J. Ho, Vahideh Heydari Nazarabad, Kourosh Cheraghipour","doi":"10.2174/1570163819666220228154752","DOIUrl":"https://doi.org/10.2174/1570163819666220228154752","url":null,"abstract":"BACKGROUND\u0000Garlic (Allium sativum) is currently used as a natural supplement for the treatment of various diseases and disorders, because it has antibacterial, antiviral, antifungal, antiparasitic, antioxidant, and anti-inflammatory properties. This systematic review aimed to summarize the in vitro and in vivo effects of garlic against Schistosoma spp.\u0000\u0000\u0000METHOD\u0000The current study was carried out according to the PRISMA guideline and registered in the CAMARADES-NC3Rs Preclinical Systematic Review and Meta-analysis Facility (SyRF) database. Literature search was conducted using five databases; namely Scopus, PubMed, Web of Science, EMBASE, and Google Scholar from January 2008 to January 2021. The search was restricted to articles published in English language. The search was performed using appropriate syntax and specific tags for each database.\u0000\u0000\u0000RESULTS\u0000Of 2,600 studies, 10 met the eligibility criteria for review. All studies used Schistosoma mansoni and garlic. Ten studies (90%) were performed in vivo and one study in vitro. The results of studies showed that garlic can remove the parasite through a direct effect on the parasite itself, such as changes in the parasite's coat or destruction of its spines, or indirectly by strengthening the immune response against the parasite.\u0000\u0000\u0000CONCLUSION\u0000Effective anti-schistosomal responses of garlic in studies show that the active compounds of garlic can be used as a complement with chemical drugs or as an alternative for them, and this is needed to optimize the consumption of these active compounds for medicinal uses.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47244505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, Characterisation and Docking Studies of Thioxoquinoline Derivatives as Potential Anti-Alzheimer Agents.","authors":"Shalaka P Naik,&nbsp;Chandavarkar Sachin,&nbsp;Phadte Soniya,&nbsp;Naik Harishchandra,&nbsp;Sinari Venkatesh,&nbsp;Tawde Shilpa,&nbsp;Mamle Desai Shivlingarao","doi":"10.2174/1570163819666220513115542","DOIUrl":"https://doi.org/10.2174/1570163819666220513115542","url":null,"abstract":"<p><strong>Background: </strong>Alzheimer's Disease (AD) is related to the total loss of presynaptic neurotransmitters of the cholinergic system in regions of the brain related to memory. Approximately 15% of the population beyond the age of 65 years are suffering from dementia due to AD and the rate is rising exponentially with age.</p><p><strong>Objective: </strong>The objective of this research was the synthesis of a series of 1-(4-substituted-2- thioxoquinolin-1(2H)-yl)-2-substituted ethanoneV (a-c(1-4)) by undergoing acetylation at the nitrogen of 4-hydroxyquinolin-2-(1H)-one and replacing its oxygen atom with sulphur moiety via the process of thionation. To carry out-docking studies of the title compounds were carried out using Molegro Virtual Docker (MVD-2013, 6.0) software and in-vitro screening of anti-alzheimer's activity by Ellman assay method.</p><p><strong>Methods: </strong>The synthesis of the title compounds was carried out via the sequential reaction from the initial dianilide to ring closure to the substituted quinoline-2-ones using polyphosphoric acid as a cyclising agent. These substituted quinoline-2-ones on thionation by phosphorous pentasulphide in aluminium trioxide gave quinoline-2-thiones and on further condensation with chloroacetyl chloride, they resulted in compounds with a leaving group. Nucleophilic substitution reaction of chloroacetylquinoline- 2-thiones with secondary amines resulted in the title compounds 1-(4-substituted-2- thioxoquinolin-1(2H)-yl)-2-substituted ethanone V(a-c(1-4)). The pharmacophore mapping of synthesized compounds was performed by using Molegro Virtual Docker (MVD-2013,6.0). The title compounds were tested for their in vitro anti-Alzheimer's activity using the Ellman assay method.</p><p><strong>Results: </strong>All the synthesized compounds were characterized by IR, ¹H NMR, ¹³C NMR, and Mass spectral data. Docking studies of all the synthesized compounds were carried out using a structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine, and indirubin (PDB ID: 1UNG), showed favourable results, with compound (Vb3) showing a MolDock score of -85.9788 that was comparable to that of the active ligand (ALH_1288 [B]) with MolDock score of - 87.7609.</p><p><strong>Conclusion: </strong>The synthesized derivatives possessed the potential to bind with some of the amino acid residues of the active site. Compound 2-(6-chloro-4-hydroxy-2-thioxoquinolin-1(2H)-yl-1-piperazin- 1-ethanone (Vb3) was found to be the most active among the synthesized derivatives, with IC₅₀ values of 32 ± 0.1681. All the synthesized compounds showed potent to moderate activity in comparison to the reference standard donepezil.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":"19 6","pages":"e130522204744"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10615442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pharmacological Study of A3 Adenosine Receptor agonist (AB Meca) in Xenograft Lung Cancer Model in Mice through In Silico and In Vivo Approach: Targeting TNF-α.","authors":"Nilay Solanki,&nbsp;Leena Patel,&nbsp;Shaini Shah,&nbsp;Ashish Patel,&nbsp;Swayamprakash Patel,&nbsp;Mehul Patel,&nbsp;Umang Shah","doi":"10.2174/1570163818666210810142022","DOIUrl":"https://doi.org/10.2174/1570163818666210810142022","url":null,"abstract":"<p><strong>Background: </strong>Lung cancer is the leading cause of mortality in India. Adenosine Receptor (AR) has emerged as a novel cancer-specific target. A3AR levels are upregulated in various tumor cells, which may mean that the specific AR may act as a biological marker and target specific ligands leading to cell growth inhibition.</p><p><strong>Aim: </strong>Our aim was to study the efficacy of the adenosine receptor agonist, AB MECA, by in silico (molecular docking) and in vitro (human cancer cells in xenografted mice) studies.</p><p><strong>Methods: </strong>Molecular docking on the AB-meca and TNF-α was performed using AutoDock. A549 Human lung cancer 2 ×10⁶ cells per microliter per mouse injected via intrabronchial route. Rat TNF-α level was assessed by ELISA method.</p><p><strong>Results: </strong>AB Meca's predicted binding energy (beng) with TNF-α was 97.13 kcal/mol, and the compatible docking result of a small molecular inhibitor with TNF-α native ligand beng was 85.76 kcal/mol. In vivo, a single dose of lung cancer cell A549 is being researched to potentiate tumor development. Doxorubicin and A3AR agonist therapies have lowered TNF-alpha levels that were associated with in silico function. The A3AR Agonist showed myeloprotective effects in the groups treated along with doxorubicin.</p><p><strong>Conclusion: </strong>AB MECA's higher binding energy (beng) with TNF-α mediated reduction of tumor growth in our lung cancer in vivo model suggested that it may be an effective therapy for lung cancer.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":"19 1","pages":"e140122195498"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"39900516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cytotoxic Effects of Garcinia mangostana Pericarp Extract on Cancer Cell Lines.","authors":"Roghayeh Rashidi,&nbsp;Fatemeh Forouzanfar,&nbsp;Mohammad Soukhtanloo,&nbsp;Shirin Ghasemian,&nbsp;Seyed Hadi Mousavi","doi":"10.2174/1570163819666220113100039","DOIUrl":"https://doi.org/10.2174/1570163819666220113100039","url":null,"abstract":"<p><strong>Background: </strong>Garcinia mangostana, commonly also called mangosteen, is an evergreen tropical tree, and its pericarps have been used in traditional herbal medicine for different diseases. The anticancer efficacy of the ethanolic extract from the pericarps of Garcinia mangostana was investigated in human prostate cancer cells (PC3), melanoma cells (B16F10), breast cancer cells (MCF7), and glioblastoma (U87) cell lines.</p><p><strong>Methods: </strong>3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide (MTT) assay was used to measure cell viability. Propidium iodide (PI) staining and analysis on a flow cytometer were used to identify apoptosis. Action on cell migration was evaluated by scratch assay and gelatin zymography. Furthermore, the level of intracellular reactive oxygen species (ROS), malondialdehyde (MDA), glutathione (GSH), and superoxide dismutase (SOD) activity was measured. Moreover, we investigated the synergistic efficacy with several combinations of Garcinia mangostana extract (GME) with doxorubicin.</p><p><strong>Results: </strong>GME reduced cell viability in malignant cell dose time-dependently. GME-induced sub- G1 peak in flow cytometry histogram of treated cells control representing apoptotic cell death is involved in GME toxicity. Furthermore, GME exhibited inhibitory effects on the migration ability of U87 cells, which was accompanied by inhibition in the activity and expression of MMP2 (matrix metalloproteinase-2). Besides, GSH level and SOD activity were significantly reduced while there was an increase in ROS and MDA concentration following 24 hr of GME treatment. Moreover, a combination of GME (1.5-25 μg/mL) with Dox (6 μg/mL) displayed synergistic efficacy and cell growth inhibition.</p><p><strong>Conclusion: </strong>In conclusion, GME could cause cell death in PC3, MCF7, U87, and B16F10 cell lines, in which apoptosis plays an imperative role. Plant extract decreased the migration ability of the cells by inhibiting the activity and expression of Matrix metalloproteinases (MMPs). G. mangostana could be a promising therapeutic strategy to treat cancer in the future.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":"e130122200196"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"39949346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational Approach to Combat COVID-19 Infection: Emerging Tools for Accelerating Drug Research.","authors":"Biswa Mohan Sahoo,&nbsp;Subrat Kumar Bhattamisra,&nbsp;Sarita Das,&nbsp;Abhishek Tiwari,&nbsp;Varsha Tiwari,&nbsp;Manish Kumar,&nbsp;Sunil Singh","doi":"10.2174/1570163819666220117161308","DOIUrl":"https://doi.org/10.2174/1570163819666220117161308","url":null,"abstract":"<p><strong>Background: </strong>The process of drug discovery and development is expensive, complex, timeconsuming, and risky. There are different techniques involved in the process of drug development, including random screening, computational approaches, molecular manipulation, and serendipitous research. Among these methods, the computational approach is considered an efficient strategy to accelerate and economize the drug discovery process.</p><p><strong>Objective: </strong>This approach is mainly applied in various phases of the drug discovery process, including target identification, target validation, lead identification, and lead optimization. Due to the increase in the availability of information regarding various biological targets of different disease states, computational approaches such as molecular docking, de novo design, molecular similarity calculation, virtual screening, pharmacophore-based modeling, and pharmacophore mapping have been applied extensively.</p><p><strong>Methods: </strong>Various drug molecules can be designed by applying computational tools to explore the drug candidates for the treatment of Coronavirus infection. The World Health Organization announced the coronavirus disease as COVID-19 and declared it a global pandemic on 11 February 2020. Therefore, it is thought of interest to the scientific community to apply computational methods to design and optimize the pharmacological properties of various clinically available and FDA-approved drugs such as remdesivir, ribavirin, favipiravir, oseltamivir, ritonavir, arbidol, chloroquine, hydroxychloroquine, carfilzomib, baraticinib, prulifloxacin, etc., for effective treatment of COVID-19 infection.</p><p><strong>Results: </strong>Further, various survey reports suggest that extensive studies are carried out by various research communities to find out the safety and efficacy profile of these drug candidates.</p><p><strong>Conclusion: </strong>This review is focused on the study of various aspects of these drugs related to their target sites on the virus, binding interactions, physicochemical properties, etc.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":"19 3","pages":"e170122200314"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"39918889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}