A Group Contribution Analogy as Selection Criteria for Nutrients Fermentation Media in the Production of Tacrolimus, Sirolimus and Ascomycin DOI Open Access

Alessandra Suzin Bertan,

Luciana Aparecida Andrade Previato Fonseca,

Marco Aurélio Cremasco

et al.

International Journal of Latest Engineering and Management Research (IJLEMR), Journal Year: 2023, Volume and Issue: 8(9), P. 10 - 20

Published: Sept. 20, 2023

Tacrolimus, sirolimus, and ascomycin are macrolides related to a decrease in the occurrence severity of refractory rejection episodes other diseases, such as skin eyes.The determination optimum initial sources carbon nitrogen medium is an essential step optimizing fermentation process obtain these drugs.The current research proposes innovative technique selection criteria culture media sources.The concept analogy group contribution from thermodynamics identify molecular fragments.Tacrolimus, sirolimus structures results were analyzed.This approach can enhance productivity important immunosuppressants.

Language: Английский

Efficacy of Topical Treatments for the Management of Symptomatic Oral Lichen Planus: A Systematic Review DOI Open Access
Giorgio Serafini, Alberto De Biase, Luca Lamazza

et al.

International Journal of Environmental Research and Public Health, Journal Year: 2023, Volume and Issue: 20(2), P. 1202 - 1202

Published: Jan. 10, 2023

Oral lichen planus (OLP) is a chronic mucosal inflammatory disease associated with T-cell-mediated immunological dysfunction. Symptomatic OLP painful condition, and complete healing often not achieved. The aim of this systematic review was to assess the effectiveness topical drugs, medications, other interventions compared placebo or treatments in pain reduction clinical resolution adult patients symptomatic OLP. A detailed electronic literature search performed through MEDLINE (PubMed) database between 1 January 2005 30 September 2022. Eligible studies were selected based on inclusion criteria, quality assessment conducted. From 649 titles, 121 articles as abstracts, 75 papers assessed full text, along 15 obtained manual search. total RCTs finally included process. Because significant heterogeneity study design studies, no meta-analysis data could be performed. Topical corticosteroids represent first-line treatment management due their efficacy minimal adverse effects. Calcineurin inhibitors seem equally effective are indicated recalcitrant cases, extensive lesions, susceptible oral candidiasis, cases unresponsive corticosteroids. Other treatments, such aloe vera, chamomile, isotretinoin, ozone, laser therapy, beneficial adjunct therapies association treatments.

Language: Английский

Citations

15

Depression clinical trials worldwide: a systematic analysis of the ICTRP and comparison with ClinicalTrials.gov DOI Creative Commons

Eugenia D. Namiot,

Diana Smirnovová,

Aleksandr V. Sokolov

et al.

Translational Psychiatry, Journal Year: 2024, Volume and Issue: 14(1)

Published: July 31, 2024

Abstract Major depressive disorder (MDD), commonly known as depression, affects over 300 million people worldwide of 2018 and presents a wide range clinical symptoms. The international trials registry platform (ICTRP) introduced by WHO includes aggregated data from ClinicalTrials.gov 17 other national registers, making it the largest trial platform. Here we analysed in ICTRP with aim providing comprehensive insights into on depression. Applying novel hidden duplicate identification method, 10,606 depression were identified ICTRP, ANZCTR being non- database at 1031 trials, followed IRCT 576 ISRCTN 501 CHiCTR 489 EUCTR 351 trials. top four most studied drugs, ketamine, sertraline, duloxetine, fluoxetine, consistent both groups, but had more for each drug compared to non-ClinicalTrials.gov group. Out 9229 interventional 663 unique agents identified, including approved drugs (74.5%), investigational (23.2%), withdrawn (1.8%), nutraceuticals (0.3%), illicit substances (0.2%). Both databases revealed that categories antidepressive (1172 659 non-ClinicalTrials.gov) nutrients, amino acids, chemical elements (250 non-ClinicalTrials.gov), indicating focus alternative treatments involving dietary supplements nutrients. Additionally, 26 targeting 16 different targets buprenorphine (opioid agonist), saredutant (NK2 antagonist), seltorexant (OX2 antagonist) frequently studied. This analysis addresses 40 treatment new classes like GABA modulators NMDA antagonists are offering prospects treating MDD, drug-resistant postpartum subtypes.

Language: Английский

Citations

5

Target-specific high-throughput screening of anti-inflammatory phytosteroids for autoimmune diseases: A molecular docking-dynamics simulation approach DOI
Alaka Sahoo, Sudhir Kumar Paidesetty, Maitreyee Panda

et al.

Steroids, Journal Year: 2025, Volume and Issue: unknown, P. 109601 - 109601

Published: March 1, 2025

Language: Английский

Citations

0

Phytoflavonoids as alternative therapeutic effect for melanoma: Integrative Network pharmacology, molecular dynamics and drug-likeness profiling for lead discovery DOI

Manoj Kumar Prajapati,

Abhilasha Mittal, Pritipadma Panda

et al.

Computational Biology and Chemistry, Journal Year: 2025, Volume and Issue: 117, P. 108390 - 108390

Published: Feb. 22, 2025

Language: Английский

Citations

0

Changing trends in oral mucosal diseases in China (2016–2024): a cross-sectional study of 316,166 patients with focus on COVID-19 impact and use of chinese patent medicines DOI Creative Commons
Peiru Zhou,

Xu Zhang,

Yifan Chen

et al.

BMC Oral Health, Journal Year: 2025, Volume and Issue: 25(1)

Published: March 27, 2025

Oral mucosal health is a critical component of overall oral and impacts an individual's quality life. Despite variations in prevalence rates diseases across regions, previous studies often involved small sample sizes with insufficient data analysis. This study addresses the gap by providing comprehensive analysis changing spectrum China, focus on impact COVID-19. It also explores trends use Chinese patent medicines (CPMs) for treatment. retrospective, cross-sectional included 316,166 patients from Department Medicine at Peking University School Hospital Stomatology between 2016 2024. Data patient demographics, chief complaints, diagnoses, CPMs were collected analyzed. Statistical comparisons made using t-tests chi-square tests, significance set P < 0.05. The average age was 49.42 ± 17.92 years, women significantly overrepresented (male/female ratio: 0.59). most frequent diagnoses lichen planus recurrent aphthous stomatitis, accounting top two positions each year. found significant differences disease patterns among groups, potentially malignant disorders like becoming more prevalent older populations. used 52.29% patients, similar proportions topical systemic treatments. During COVID-19 pandemic (2020–2022), number dropped significantly, increased burning mouth syndrome candidiasis observed. offers largest amount valuable epidemiological management to date underscoring need targeted resource allocation. An important trend greater predilection females middle-aged elderly three terms planus, candidiasis. treatment indicated widespread diseases. associated decrease total characterized increase proportion that have psychosomatic associations. warrant further investigation future ensure evidence-based medical practices. Not applicable.

Language: Английский

Citations

0

Combined Bioinformatics and Combinatorial Chemistry Tools to Locate Drug‐Able Anti‐TB Phytochemicals: A Cost‐Effective Platform for Natural Product‐Based Drug Discovery DOI
Shasank S. Swain, Tahziba Hussain

Chemistry & Biodiversity, Journal Year: 2022, Volume and Issue: 19(11)

Published: Oct. 28, 2022

Based on extensive experimental studies, a huge number of phytochemicals showed potential activity against tuberculosis (TB) at lower minimum inhibitory concentration (MIC) and fewer toxicity profiles. However, these promising drugs have not been able to convert from 'lead' 'mainstream' due inadequate drug-ability Thus, early drug-prospective analyses are required the primary stage accelerate natural-product-based drug discovery with limited resources time. In present study, we selected seventy-three anti-TB (MIC value ≤10 μg/mL) assessed profiles using bioinformatics combinatorial chemistry tools, systematically. Primarily, molecular docking study was done two putative targets, catalase-peroxidase enzyme (katG) RNA polymerase subunit-β (rpoB) Mycobacterium (Mtb) AutoDock 4.2 software. Further, score Molsoft, ProTox, pharmacokinetics SwisADME, hierarchical cluster analysis (HCA) by ChemMine tools frontier orbitals (FMOs) Avogadro structural relationships (SAR) ChemDraw 18.0 Above indicated that, MIC exhibited phytochemicals, abietane, 12-demethylmulticaulin poor scores, while tiliacorinine, 2-nortiliacorinine higher binding energy Overall, 2-nortiliacorinine, 7α-acetoxy-6β-hydroxyroyleanone (AHR), (2S)-naringenin isovachhalcone were found as most active drug-able candidates 73 candidates. Phytochemicals always vital source mainstream drugs, but phytochemical is sufficient for it be promoted. An ideal profile therefore essential achieving clinical success, where advanced help assess analyse that profile. Additionally, several natural pharmacophores in existing SAR also provide crucial information developing drug. As conclusion, combined effective strategies locate potent-cum-drug-able current drug-development module.

Language: Английский

Citations

16

Biogenic Zinc Oxide Nanoparticles Attenuate Acute Lymphoblastic Leukemia Cell Proliferation through Oxidative Stress and DNA Damage DOI Creative Commons
V. Sujatha,

A. Venkatesan,

Acharya Sancharan

et al.

Pharmaceutical Sciences, Journal Year: 2024, Volume and Issue: 30(2), P. 262 - 273

Published: Feb. 28, 2024

Background: The most prevalent pediatric cancer is acute lymphoblastic leukemia (ALL). It exceedingly challenging to treat recurrent diseases, and there aren’t many new medications available for children with disease resistance. size-dependent anticancer effect of zinc oxide nanoparticles (ZnONPs) on T-cell (T-ALL) cell line MOLT 3 the central theme this study. Methods: leaf bark extracts Diospyros montana were subjected nanoparticle (NPs) synthesis characterized analytically acquire ZnONPs. ZnONPs using UV-Vis spectra, DLS, XRD, EDX, SEM, TEM analysis. Then separated into two groups having <50 nm 50-100 NPs sizes. In addition, MTT assay, dual staining, autophagy, DNA damage, oxidative damage measurement done find out anti-cancer cells. Results: exhibited a against IC50 < 50 was found be ~75 µg/mL while size ~102 µg/mL. Treatment decreased mitochondrial membrane potential, more than that On other hand, autophagy in treated when compared size. However, treatment both sizes reduced proliferation markers such as ki67 positive cells increasing 8-OHG HDCF-DA Conclusion: obtained results portrayed different-sized induce different modes T-ALL death. Small-sized revealed higher efficacy, highlighting property. Further, finding denotes could an effective agent dreadful diseases like T-ALL, warranting further investigation.

Language: Английский

Citations

2

Antibacterial Activity, Toxicity and Drug-Likeness Profiles of Woodfordia fruticosa-Derived Metabolites Using Computational-Aided Drug Design Platform DOI Creative Commons

D. P. SAHU,

Babu Ram, S. Acharya

et al.

International Journal of experimental research and review, Journal Year: 2024, Volume and Issue: 42, P. 249 - 261

Published: Aug. 30, 2024

This study presents a comprehensive investigation into the phytoconstituents reported from Woodfordia fruticosa (L.) Kurz leaf and flower extracts using gas chromatography-mass spectrometry (GC-MS) analysis, along with some existing phytochemicals, to explore their potential antibacterial properties through molecular docking studies. Followed by bio-assay-guided leave extraction two solvent systems, i.e., methanol (polar) petroleum ether (non-polar), was used further subjected GC-MS identify quantify various secondary metabolites. Based on spectral intensity volume area, total of 28 compounds (P1 P28) have been selected analyses, an additional 14 (P29 P42) previous reports were for studies against DNA gyrase subunit B (GryB) Escherichia coli (PDB ID: 7P2M) Staphylococcus aureus 5D7R) novobiocin as standard. Further, score or binding affinity (kcal/mol.) each ligand investigated, where 4,5-dihydro-4,4-undeca methylene-2-phenyl-1,3-oxazin-6-one (P20) -8.4 kcal/mol., GC-MS-derived group chrysophanol-8-O-β-d-glucopyranoside (P37) -9.7 phytochemical groups antibacterial. The predicted toxicity drug-ability profiles also suggested that candidates displayed comparatively higher non-toxic but lower drug-likeness than groups. integrative approach explores W. responsible activity crude providing insights in selection lead agent cost-effective computer-aided drug design platform accelerate discovery chance experimental success.

Language: Английский

Citations

2

Alcoholic Extracts of Eleusine indica as Alternative Diuretic Regimens: A Computational Based Investigation DOI Creative Commons
Tapan Kumar Sahu, Nityananda Sahoo, Gurudutta Pattnaik

et al.

International Journal of experimental research and review, Journal Year: 2024, Volume and Issue: 37, P. 11 - 21

Published: March 30, 2024

Diuretics are widely used in current clinical practice to increase urine production and excrete electrolytes, particularly sodium chloride ions, without affecting the absorption of protein, vitamins, carbohydrates, or amino acids. From time mercury organomercurials ancient times now (with sulphonamides, thiazides, furosemide), a lot has changed field diuretics. However, long-term use such synthetic diuretic agents produces several adverse effects, as blurred vision, loss appetite, stomach upset, carcinomas, headaches, phototoxic impact, weakness., etc., been observed from recent investigations. Natural regimens can serve potential alternatives using nontoxic agents. Based on ethnomedicinal biological activity records, we have explored effects known perennial herb Pacific Islands regions weed agricultural fields, Eleusine indica (L) Gaertn phytoconstituents, computation platform. Therefore, conducted bio-assay-guided crude extraction ethanol, followed by further gas chromatography-mass spectrometry (GC-MS) analyses extracted extracts. Further selected nine constituents (EI_1 EI_9) carried out potency against three putative target enzymes (ACE, KCNJ1, SLC12A1) along with standard drugs (VU590, TSM, FSM) through molecular docking studies AutoDock 4.2 software. We also predict physicochemical profiles, Lipinski Rule Five toxicity, pharmacokinetics various bioinformatics cheminformatics tools. overall investigation, it was revealed that EI_6 [Z, Z-6,28-Heptatriacontadien-2-one] most potential, nontoxic, drug-able candidate. In summary, advanced computational tools play crucial role selecting preclinical candidates within limited resources accelerate drug discovery process.

Language: Английский

Citations

1

Quantitative Phytochemical Investigation, Antibacterial Potency, and Drug-ability Assessment of Three Indian Medicinal Plants Leaf Extracts Using Bioinformatics Tools DOI Creative Commons
Susmita Chakrabarty, Shasank S. Swain, Monali Priyadarsini Mishra

et al.

International Journal of experimental research and review, Journal Year: 2024, Volume and Issue: 42, P. 351 - 364

Published: Aug. 30, 2024

Natural regimens have long-held ethnomedicinal values, serving as primary sources for mainstream medicine. Therefore, scientists are paying more attention to studying the biological activity of existing plant species in organized ways select potent bioactive metabolites use specific therapeutic purposes. This study used same approach find antibacterial phytoconstituents three well-known Indian medicinal plants: Psidium guajava L., Syzygium cumini L. and Punica granatum In earlier study, methanolic leaf extracts above were effective than n-hexane against biofilm drug-resistant pathogenic bacteria. Accordingly, we selected crude gas chromatography-mass spectrometry (GC-MS) identify presented. addition, added a few reported candidates from molecular docking studies four bacterial targets. For studies, retrieved all or ligands PubChem database target proteins protein data bank using PyRx 0.8-AutoDock 4.2 software. Furthermore, various bioinformatics chemoinformatics tools examine investigated physicochemical properties, toxicity, drug-ability profiles. Out 30 GC-MS report-derived plants, P5 P. guajava, P18 S. cumini, P21 had binding ability with way, out candidates, P39, P43, P56 along amikacin, showed strong target. Both sets favorable toxicity profiles; however, GC-MS-derived exhibited negative drug-likeness. The reveals that these properties because they contain both phytoconstituents. starts extraction then uses choose two possible ursolic acid punicacortein A. platform could be useful finding an agent works specifically on To sum up, encourages isolation different plants speed up selection leads can process making drugs within limited resources.

Language: Английский

Citations

1