ADMET and DMPK最新文献_第5页

Special issue devoted to the IAPC-10 Meeting: Joint World Conferences on Physico-Chemical Methods in Drug Discovery and Development and on ADMET and DMPK. IAPC-10 会议特刊：药物发现和开发中的物理化学方法世界联席会议》和《ADMET 和 DMPK》。

IF 3.4

ADMET and DMPK Pub Date : 2023-10-31 eCollection Date: 2024-01-01 DOI: 10.5599/admet.2541

Tatjana Verbić, Zoran Mandić

引用次数: 0

Nanomaterials as drug delivery agents for overcoming the blood-brain barrier: A comprehensive review 纳米材料作为克服血脑屏障的药物递送剂:综述

ADMET and DMPK Pub Date : 2023-10-31 DOI: 10.5599/admet.2043

Mangesh Kulkarni, Krishi Patel, Ayush Patel, Swayamprakash Patel, Jagruti Desai, Mehul Patel, Umang Shah, Ashish Patel, Nilay Solanki

{"title":"Nanomaterials as drug delivery agents for overcoming the blood-brain barrier: A comprehensive review","authors":"Mangesh Kulkarni, Krishi Patel, Ayush Patel, Swayamprakash Patel, Jagruti Desai, Mehul Patel, Umang Shah, Ashish Patel, Nilay Solanki","doi":"10.5599/admet.2043","DOIUrl":"https://doi.org/10.5599/admet.2043","url":null,"abstract":"Background and Purpose: The blood-brain barrier (BBB), a critical interface of specialized endothelial cells, plays a pivotal role in regulating molecular and ion transport between the central nervous system (CNS) and systemic circulation. Experimental Approach: This review aims to delve into the intricate architecture and functions of the BBB while addressing challenges associated with delivering therapeutics to the brain. Historical milestones and contemporary insights underscore the BBB's significance in protecting the CNS. Key Results: Innovative approaches for enhanced drug transport include intranasal delivery exploiting olfactory and trigeminal pathways, as well as techniques like temporary BBB opening through chemicals, receptors, or focused ultrasound. These avenues hold the potential to reshape conventional drug delivery paradigms and address the limitations posed by the BBB's selectivity. Conclusion: This review underscores the vital role of the BBB in maintaining CNS health and emphasizes the importance of effective drug delivery through this barrier. Nanoparticles emerge as promising candidates to overcome BBB limitations and potentially revolutionize the treatment of CNS disorders. As research progresses, the application of nanomaterials shows immense potential for advancing neurological therapeutics, albeit with careful consideration of safety aspects.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"21 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135809267","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}

引用次数: 0

Recent advances in nanomaterial-based drug delivery systems for melanoma therapy 基于纳米材料的黑色素瘤药物递送系统的最新进展

ADMET and DMPK Pub Date : 2023-10-24 DOI: 10.5599/admet.2088

Rabinarayan Parhi, Partha Pratim Kaishap, Goutam Kumar Jena

{"title":"Recent advances in nanomaterial-based drug delivery systems for melanoma therapy","authors":"Rabinarayan Parhi, Partha Pratim Kaishap, Goutam Kumar Jena","doi":"10.5599/admet.2088","DOIUrl":"https://doi.org/10.5599/admet.2088","url":null,"abstract":"Background and Purpose: Safe and effective drug delivery is crucial for the treatment of cancer, which is quite impossible to achieve through traditional methods. Among all types of cancer, skin melanoma is known for its aggressive metastasizing ability and an unprecedented higher degree of lethalness, limiting the overall therapeutic efficacy. Here, we focus on the different types of nanomaterials (NMs) and their drug delivery applications against melanoma. Experimental Approach: All relevant publications, including research papers, reviews, chapters and patents, were assessed using search engines such as Scopus and PubMed, up to the end of August of 2023. The keywords used in the search were: nanomaterials, melanoma, drug delivery routes for melanoma, and nanomaterial-based drug delivery systems (DDS). Most of the publications out of 234 cited in this review are from the last five years. Key Results: The recent advancement and mechanism of action of various NMs against melanoma, including inorganic metallic and carbon-based NMs, organic polymeric and lipid-based NMs, and cell-derived vesicles are discussed. We also focus on the application of different NMs in the delivery of therapeutic agents for melanoma therapy. In addition, the skin and melanoma, genetic mutation and pathways for melanoma, conventional treatment options, and delivery routes for therapeutic agents are also discussed briefly. Conclusion: There are few NM-based DDS developed in the lab set up recently. The findings of this review will pave the path for the development of NM-based DDS on an industrial scale and help in the better management of skin melanoma.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"32 7","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135266651","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}

引用次数: 0

Nanomaterials in biomedicine, drug delivery and pharmaceutical analysis. 生物医学、药物输送和药物分析中的纳米材料。

IF 2.5

ADMET and DMPK Pub Date : 2023-10-16 eCollection Date: 2023-01-01 DOI: 10.5599/admet.2125

Hassan Karimi-Maleh, Afsaneh L Sanati, Rozhin Darabi

引用次数: 0

Development of olanzapine solid dispersion by spray drying technique using screening design for solubility enhancement. 采用提高溶解度的筛选设计，通过喷雾干燥技术开发奥氮平固体分散体。

IF 2.5

ADMET and DMPK Pub Date : 2023-10-06 eCollection Date: 2023-01-01 DOI: 10.5599/admet.1998

Leena Patil, Umakant Verma, Rahul Rajput, Pritam Patil, Aniruddha Chaterjee, Jitendra Naik

{"title":"Development of olanzapine solid dispersion by spray drying technique using screening design for solubility enhancement.","authors":"Leena Patil, Umakant Verma, Rahul Rajput, Pritam Patil, Aniruddha Chaterjee, Jitendra Naik","doi":"10.5599/admet.1998","DOIUrl":"10.5599/admet.1998","url":null,"abstract":"Introduction: Olanzapine (OLZ) is a psychotropic class drug commonly used to treat schizophrenia, bipolar disorder, and acute manic episodes. It has less water solubility, resulting in a slow dissolution rate and oral bioavailability. Therefore, the development in oral dosage forms is required to enhance the drug solubility.Method: The solid dispersion of olanzapine is prepared by spray drying technique. The solution of polyvinylpyrrolidone K-30 (PVP K-30), mono amino glycyrrhizinate pentahydrate (GLY), OLZ and silicon dioxide were dissolved in distilled water and ethanol and spray dried to get the solid dispersion. Solid dispersion was characterized for surface morphology, solubility, encapsulation efficiency (EE), X-ray diffraction (X-RD), Differential Scanning Calorimeter (DSC) and drug-polymer interaction by Fourier transforms infrared spectroscopy.Results: The amorphous nature of the drug's incorporation in solid dispersion was confirmed by X-RD analysis. Prepared solid dispersion showed higher solubility, 11.51 mg, than pure OLZ (0.983 mg ml-1), while the range of EE was found to be between 64 to 90 %.Conclusions: The solubility and dissolution rate of the OLZ can effectively increase by spray-dried solid dispersion. Plackett-Burman screening design plays a vital role in understanding the effect of independent variables on EE and solubility.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"11 4","pages":"615-627"},"PeriodicalIF":2.5,"publicationDate":"2023-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626510/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71476976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Supremacy of nanoparticles in the therapy of chronic myelogenous leukemia. 纳米颗粒在治疗慢性粒细胞白血病中的优势。

IF 2.5

ADMET and DMPK Pub Date : 2023-09-26 eCollection Date: 2023-01-01 DOI: 10.5599/admet.2013

Gopalarethinam Janani, Agnishwar Girigoswami, Koyeli Girigoswami

{"title":"Supremacy of nanoparticles in the therapy of chronic myelogenous leukemia.","authors":"Gopalarethinam Janani, Agnishwar Girigoswami, Koyeli Girigoswami","doi":"10.5599/admet.2013","DOIUrl":"10.5599/admet.2013","url":null,"abstract":"Background and purpose: The reciprocal translocation of the ABL gene from chromosome 9 to chromosome 22 near the BCR gene gives rise to chronic myelogenous leukemia (CML). The translocation results in forming the Philadelphia chromosome (BCR-ABL) tyrosine kinase. CML results in an increase in the number of white blood cells and alteration in tyrosine kinase expression. CML prognosis includes three stages, namely chronic, accelerated, and blast. The diagnosis method involves a CT scan, biopsy, and complete blood count. However, due to certain disadvantages, early diagnosis of CML is not possible by traditional methods. Nanotechnology offers many advantages in diagnosing and treating cancer.Experimental approach: We searched PubMed, Scopus and Google Scholar using the keywords Philadelphia chromosome, bionanotechnology, tyrosine kinase pathway, half-life, passive targeting, and organic and inorganic nanoparticles. The relevant papers and the classical papers in this field were selected to write about in this review.Key results: The sensitivity and specificity of an assay can be improved by nanoparticles. Utilizing this property, peptides, antibodies, aptamers, etc., in the form of nanoparticles, can be used to detect cancer at a much earlier stage. The half-life of the drug is also increased by nanoformulation. The nanoparticle-coated drugs can easily escape from the immune system.Conclusion: Depending on their type, nanoparticles can be categorized into organic, inorganic and hybrid. Each type has its advantages. Organic nanoparticles have good biocompatibility, inorganic nanoparticles increase the half-life of the drugs. In this review, we highlight the nanoparticles involved in treating CML.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"11 4","pages":"499-511"},"PeriodicalIF":2.5,"publicationDate":"2023-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626512/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71476981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Eco-friendly synthesis of chitosan and its medical application: from chitin extraction to nanoparticle preparation. 壳聚糖的环保合成及其医学应用：从甲壳素提取到纳米粒子制备。

IF 2.5

ADMET and DMPK Pub Date : 2023-09-23 eCollection Date: 2023-01-01 DOI: 10.5599/admet.1999

Riyona Desvy Pratiwi, Sjaikhurrizal El Muttaqien, Nunik Gustini, Najla Salsabilla Difa, Gita Syahputra, A'liyatur Rosyidah

{"title":"Eco-friendly synthesis of chitosan and its medical application: from chitin extraction to nanoparticle preparation.","authors":"Riyona Desvy Pratiwi, Sjaikhurrizal El Muttaqien, Nunik Gustini, Najla Salsabilla Difa, Gita Syahputra, A'liyatur Rosyidah","doi":"10.5599/admet.1999","DOIUrl":"10.5599/admet.1999","url":null,"abstract":"Background and purpose: Chitosan, a chitin deacetylation product, has been applied in nanoparticle or nano-chitosan for medical applications. However, the chitin extraction from crustacean shells and other natural resources, chitin deacetylation, and crosslinking of the chitosan forming the nano-chitosan mostly involve hazardous chemical and physical processes. The risks of these processes to human health and the environment attract the attention of scientists to develop safer and greener techniques. This review aims to describe the progress of harmless chitosan synthesis.Experimental approach: All strongly related publications to each section, which were found on scientific search engines (Google Scholar, Scopus, and Pubmed), were studied, selected, and then used as references in writing this review. No limitation for the publication year was applied. The publications were searched from April 2022 - June 2023.Key results: Nano-chitosan could be synthesized in harmless techniques, including the preparation of the chitosan raw materials and crosslinking the chitosan polymer. Enzymatic processes in shell deproteination in the chitin extraction and deacetylation are preferable to reduce the negative effects of conventional chemical-physical processes. Mild alkalines and deep eutectic solvents also provide similar benefits. In the nano-chitosan synthesis, naturally derived compounds (carrageenan, genipin, and valinin) show potency as safer crosslinkers, besides tripolyphosphate, the most common safe crosslinker.Conclusion: A list of eco-friendly and safer processes in the synthesis of nano-chitosan has been reported in recent years. These findings are suggested for the nano-chitosan synthesis on an industrial scale in the near future.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"11 4","pages":"435-455"},"PeriodicalIF":2.5,"publicationDate":"2023-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626508/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71476977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The interactions of model cationic drug with newly synthesized starch derivatives. 模型阳离子药物与新合成的淀粉衍生物的相互作用。

IF 3.4

ADMET and DMPK Pub Date : 2023-09-20 eCollection Date: 2023-01-01 DOI: 10.5599/admet.1950

Justyna Kobryń, Tomasz Zięba, Magdalena Rzepczyńska, Witold Musiał

{"title":"The interactions of model cationic drug with newly synthesized starch derivatives.","authors":"Justyna Kobryń, Tomasz Zięba, Magdalena Rzepczyńska, Witold Musiał","doi":"10.5599/admet.1950","DOIUrl":"10.5599/admet.1950","url":null,"abstract":"Background and purpose: The aim of the work was to compare the interactions of three newly synthesized non-toxic starch derivatives, with varied anionic and non-ionic functional groups with methylene blue (MB) as a model cationic drug, and selection of starch derivative with highest affinity to the MB.Experimental approach: The native potato starch (SN), modified via acetylation (SM1), esterification and crosslinking (SM2) and crosslinking (SM3), was evaluated in MB adsorption studies and assessed by FTIR, PXRD, and DSC.Key results: The adsorption of MB on SM2 and SM3 matched the BET isotherm model, which confirmed physisorption on the low-porous surface. In the case of SM1, adsorption took place via electrostatic attraction between the heterogeneous adsorbent surface and the adsorbate, as demonstrated by the Freundlich plot. The FTIR confirmed vibrations assigned to N=C stretching bonds at 1600 cm-1 in the case of MB adsorbed on the SN and SM2. The most intense PXRD peaks belonged to SN and the least to SM2. In the DSC study, the thermal stability via ΔT was assessed, with SM2 of lowest ΔT value (179.8 °C).Conclusion: SM2 presented the best adsorption capacity, followed by SM3 and the weakest SM1. The interactions were confirmed in the adsorption studies and may reflect applications of the modified starches as drug carriers. In the FTIR study, a probable interaction between the OH- groups of SM2 and N+ of MB was revealed. The most amorphous structure was shown for SM2, which was correlated with the lowest thermal stability provided by the DSC study.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"11 3","pages":"387-407"},"PeriodicalIF":3.4,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10567071/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41187995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Food and bile micelle binding of quaternary ammonium compounds. 季铵化合物的食物和胆汁胶束结合。

IF 2.5

ADMET and DMPK Pub Date : 2023-09-15 eCollection Date: 2023-01-01 DOI: 10.5599/admet.2023

Takeru Sumiji, Kiyohiko Sugano

{"title":"Food and bile micelle binding of quaternary ammonium compounds.","authors":"Takeru Sumiji, Kiyohiko Sugano","doi":"10.5599/admet.2023","DOIUrl":"10.5599/admet.2023","url":null,"abstract":"Background and purpose: Physiologically-based biopharmaceutics modeling (PBBM) has been widely used to predict the oral absorption of drugs. However, the prediction of food effects on oral drug absorption is still challenging, especially for negative food effects. Marked negative food effects have been reported in most cases of quaternary ammonium compounds (QAC). However, the mechanism has remained unclear. The purpose of the present study was to investigate the bile micelle and food binding of QACs as a mechanism of the negative food effect.Experimental approach: Trospium (TRS), propantheline (PPT), and ambenonium (AMB) were selected as model QAC drugs. The oral absorption of these QACs has been reported to be reduced by 77% (TRS), > 66% (PPT), and 79% (AMB), when taken with food. The fasted and fed state simulated intestinal fluids (FaSSIF and FeSSIF, containing 3 and 15 mM taurocholic acid, respectively) with or without FDA breakfast homogenate (BFH) were used as the simulated intestinal fluid. The unbound fraction (fu) of the QACs in these media was measured by dynamic dialysis.Key results: The fu ratios (FeSSIF/ FaSSIF) were 0.67 (TRS), 0.47 (PPT), and 0.76 (AMB). When BFH was added to FeSSIF, it was reduced to 0.39 (TRS), 0.28 (PPT), and 0.59 (AMB).Conclusion: These results suggested that bile micelle and food binding play an important role in the negative food effect on the oral absorption of QACs.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"11 3","pages":"409-417"},"PeriodicalIF":2.5,"publicationDate":"2023-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10567067/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41187993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mechanistically transparent models for predicting aqueous solubility of rigid, slightly flexible, and very flexible drugs (MW<2000) Accuracy near that of random forest regression. 预测刚性、微柔性和非常柔性药物水溶性的机械透明模型（MW<2000）精度接近随机森林回归。

IF 2.5

ADMET and DMPK Pub Date : 2023-08-21 eCollection Date: 2023-01-01 DOI: 10.5599/admet.1879

Alex Avdeef

{"title":"Mechanistically transparent models for predicting aqueous solubility of rigid, slightly flexible, and very flexible drugs (MW<2000) Accuracy near that of random forest regression.","authors":"Alex Avdeef","doi":"10.5599/admet.1879","DOIUrl":"10.5599/admet.1879","url":null,"abstract":"Yalkowsky's General Solubility Equation (GSE), with its three fixed constants, is popular and easy to apply, but is not very accurate for polar, zwitterionic, or flexible molecules. This review examines the findings of a series of studies, where we have sought to come up with a better prediction model, by comparing the performances of the GSE to Abraham's Solvation Equation (ABSOLV), and Random Forest regression (RFR) machine-learning (ML) method. Large, well-curated aqueous intrinsic solubility databases are available. However, drugs may be sparsely distributed in chemical space, concentrated in clusters. Even a large database might overlook some regions. Test compounds from under-represented portions of space may be poorly predicted, as might be the case with the 'loose' set of 32 drugs in the Second Solubility Challenge (2020). There appears to be still a need for better coverage of drug space. Increasingly, current trends in predictions of solubility use calculated input descriptors, which may be an advantage for exploring properties of molecules yet to be synthesized. The risk may be that overall prediction approaches might be based on accumulated uncertainty. The increasing use of ML/AI methods can lead to accurate predictions, but such predictions may not readily suggest the strategies to pursue in selecting yet-to-be-synthesized compounds. Based on our latest findings, we recommend predictions based on both 'grouped' ABSOLV(GRP) and 'Flexible Acceptor' GSE(Φ,B) models with the provided best-fit parameters, where Φ is the Kier molecular flexibility index and B is the Abraham H-bond acceptor strength. For molecules with Φ < 11, the prudent choice is to pick the Consensus Model, the average of ABSOLV(GRP) and GSE(Φ,B). For more flexible molecules, GSE(Φ,B) is recommended.","PeriodicalId":7259,"journal":{"name":"ADMET and DMPK","volume":"11 3","pages":"317-330"},"PeriodicalIF":2.5,"publicationDate":"2023-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10567068/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41187994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0