In Silico Prediction of Drug Permeability Across Buccal Mucosa

Kokate, Amit; Li, Xiaoling; Williams, Paul J.; Singh, Parminder; Jasti, Bhaskara

doi:10.1007/s11095-009-9831-4

Cited by 44 publications

(18 citation statements)

References 48 publications

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“…However, HBD negatively affects CL re values (eq. 7), consistent with previous observations that hydrogen bond donors decrease the permeability of the cell membrane due to increased interactions with the lipid bilayer (Winiwarter et al, 1998;Kokate et al, 2009). Given that CL sec and CL re values were almost identical for many drugs (Fig.…”

Section: Prediction Of Drug Transfer Into Human Milksupporting

confidence: 90%

Analysis and Prediction of Drug Transfer into Human Milk Taking into Consideration Secretion and Reuptake Clearances across the Mammary Epithelia

Koshimichi

Ito

Hisaka³

et al. 2011

Drug Metab Dispos

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ABSTRACT:Medication use during lactation is a matter of concern due to unnecessary exposure of infants to drugs. Although some studies have predicted the extent of drug transfer into milk from physicochemical parameters, drug concentration-time profiles in milk have not been predicted or even analyzed yet. In the present study, a drug transfer model was constructed by defining secretion and reuptake clearances (CL sec and CL re , respectively) between milk and plasma based on unbound drug concentrations.

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Section: Prediction Of Drug Transfer Into Human Milksupporting

confidence: 90%

Analysis and Prediction of Drug Transfer into Human Milk Taking into Consideration Secretion and Reuptake Clearances across the Mammary Epithelia

Koshimichi

Ito

Hisaka³

et al. 2011

Drug Metab Dispos

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“…In general, drug permeability across biomembranes, including the skin, increases with increasing permeant lipophilicity and decreases with increasing molecular size [23][24][25][26]. It is, therefore perhaps, not surprising that both log P and MW appear in the empirical relation describing drug clearance from the skin.…”

Section: Resultsmentioning

confidence: 99%

Predicting topical drug clearance from the skin

Tabosa

Hoppel

Bunge

et al. 2020

Drug Deliv. and Transl. Res.

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For topical drug products that target sites of action in the viable epidermal and/or upper dermal compartment of the skin, the local concentration profiles have proven difficult to quantify because drug clearance from the viable cutaneous tissue is not well characterised. Without such knowledge, of course, it is difficult—if not impossible—to predict a priori whether and over what time frame a topical formulation will permit an effective concentration of drug within the skin ‘compartment’ to be achieved. Here, we test the hypothesis that valuable information about drug disposition, and specifically its clearance, in this experimentally difficult-to-access compartment (at least, in vivo) can be derived from available systemic pharmacokinetic data for drugs administered via transdermal delivery systems. A multiple regression analysis was undertaken to determine the best-fit empirical correlation relating clearance from the skin to known or easily calculable drug properties. It was possible, in this way, to demonstrate a clear relationship between drug clearance from the skin and key physical chemical properties of the drug (molecular weight, log P and topological polar surface area). It was further demonstrated that values predicted by the model correlated well with those derived from in vitro skin experiments.

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“…This family mainly includes ibuprofen (IBU), naproxen (NAP) and ketoprofen (KPF) whose consumption in Spain , was close to 99% of total PROs between the years 2000–2012, representing 33–65% of total NSAIDs. The abbreviated name of each of the three above mentioned PROs and their enantiomers, CAS Registry Number, IUPAC name and chemical structure can be found in Table . The main accepted PRO pharmacological properties are analgesic, anti‐inflammatory and antipyretic, depending on their enantiomeric form , which is usually distinguished by biological systems.…”

Section: Introductionmentioning

confidence: 99%

Determination of profens in pharmaceuticals by heart‐cut achiral‐chiral two‐dimensional HPLC

Peñín-Ibáñez

Santos-Delgado

Polo-Díez

2018

Separation Science Plus

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Profens are important non‐steroidal anti‐inflammatory pharmaceutical drugs and their behavior depends on their enantiomeric form. Three of the most employed profens, ketoprofen, naproxen and ibuprofen, were separated simultaneously in pairs by two‐dimensional achiral‐chiral high‐performance liquid chromatography using heart‐cut mode. The total amount of each profen was determined using a C8 column in the first achiral system; in the second chiral system, the enantiomeric fraction of each profen was determined using an α1‐acid glycoprotein column. Mobile phases were optimized by factorial design, response surfaces and multi‐response analysis paying particular attention to mobile phase compatibility of both columns and to transferring time between systems. The effect of temperature on each profen and their enantiomer retention was studied, the thermodynamic parameters being calculated. Calibration graphs were linear in the ranges of 2–20, 0.5–10 and 10–40 mg/L for ketoprofen, naproxen and ibuprofen respectively in both systems. The method allowed the analysis of three pharmaceuticals establishing the enantiomeric fraction of each profen using a simple sample preparation; moreover, the first achiral system cleans the sample deeply preventing deterioration of the expensive chiral column. Recoveries over 80% and the enantiomeric fraction of each profen were obtained allowing determination of the pharmaceutical purity.

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In Silico Prediction of Drug Permeability Across Buccal Mucosa

Abstract: A simple model was developed and validated for predicting the buccal drug permeability. This model will be useful in assessing the feasibility of drugs for transbuccal delivery.

Cited by 44 publications

References 48 publications

Analysis and Prediction of Drug Transfer into Human Milk Taking into Consideration Secretion and Reuptake Clearances across the Mammary Epithelia

Analysis and Prediction of Drug Transfer into Human Milk Taking into Consideration Secretion and Reuptake Clearances across the Mammary Epithelia

Predicting topical drug clearance from the skin

Determination of profens in pharmaceuticals by heart‐cut achiral‐chiral two‐dimensional HPLC

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