abstract：:In the present age of pharmaceutical research and development, focused delivery of decision making data is more imperative than ever before. Resulting from several years' success, failure and consequential learning, this article also proffers advice and guidance on which in vitro and in vivo experiments to perform to ...

journal_title：Molecular pharmaceutics

authors： Grime KH,Barton P,McGinnity DF

更新日期：2013-04-01 00:00:00

abstract：:Three different types of atom accessibility descriptors are investigated in relation to site of metabolism predictions. To enable the integration of local accessibility we have constructed 2DSASA, a method for the calculation of the atomic solvent accessible surface area that is independent of 3D coordinates. The meth...

journal_title：Molecular pharmaceutics

authors： Rydberg P,Rostkowski M,Gloriam DE,Olsen L

更新日期：2013-04-01 00:00:00

abstract：:In our previous studies, ethylene glycol-linked amino acid diester prodrugs of oleanolic acid (OA), a Biopharmaceutics Classification System (BCS) class IV drug, designed to target peptide transporter 1 (PepT1) have been synthesized and evaluated. Unlike ethylene glycol, propylene glycol is of very low toxicity in viv...

journal_title：Molecular pharmaceutics

authors： Cao F,Gao Y,Wang M,Fang L,Ping Q

更新日期：2013-04-01 00:00:00

abstract：:Electrostatic potential (ESP) is a useful physicochemical property of a molecule that provides insights into inter- and intramolecular associations, as well as prediction of likely sites of electrophilic and nucleophilic metabolic attack. Knowledge of sites of metabolic attack is of paramount importance in DMPK resear...

journal_title：Molecular pharmaceutics

authors： Ford KA

更新日期：2013-04-01 00:00:00

abstract：:Novel multivalent copper(II)-conjugated phosphorus dendrimers and their corresponding mononuclear copper(II) complexes were synthesized, characterized, and screened for antiproliferative activity against human cancer cell lines. Selected copper ligands were grafted on the surface of phosphorus dendrimers of generation...

journal_title：Molecular pharmaceutics

authors： El Brahmi N,El Kazzouli S,Mignani SM,Essassi el M,Aubert G,Laurent R,Caminade AM,Bousmina MM,Cresteil T,Majoral JP

更新日期：2013-04-01 00:00:00

abstract：:Gold nanoparticles (AuNPs) have a number of physical properties that make them appealing for medical applications. For example, the attenuation of X-rays by gold nanoparticles has led to their use in computed tomography imaging and as adjuvants for radiotherapy. AuNPs have numerous other applications in imaging, thera...

journal_title：Molecular pharmaceutics

authors： Mieszawska AJ,Mulder WJ,Fayad ZA,Cormode DP

更新日期：2013-03-04 00:00:00

abstract：:Rodent models are less suitable for predicting drug-drug interactions at the level of the human intestinal mucosa, especially when nuclear receptors such as pregnane X receptor (PXR) are involved. Recently, a transgenic mouse model, expressing both human PXR and CYP3A4, was developed and shown to be a better predictor...

journal_title：Molecular pharmaceutics

authors： Holmstock N,Gonzalez FJ,Baes M,Annaert P,Augustijns P

更新日期：2013-03-04 00:00:00

abstract：:In order to gain molecular level understanding of drug dissolution into aqueous media, we report the first molecular dynamics (MD) simulation of a drug crystal dissolving. The simulation was performed for acetaminophen crystal Form I dissolving in 0.15 M aqueous NaCl solution at 37 °C. The 10 ns simulation revealed in...

journal_title：Molecular pharmaceutics

authors： Gao Y,Olsen KW

更新日期：2013-03-04 00:00:00

abstract：:Folate receptor (FR) targeting is an attractive strategy for nuclear imaging of cancer and activated macrophages through application of folic acid radioconjugates. However, significant renal accumulation of folate radioconjugates and hence exceedingly high emission of radiation from the kidneys may mask uptake of radi...

journal_title：Molecular pharmaceutics

authors： Müller C,Reber J,Schlup C,Leamon CP,Schibli R

更新日期：2013-03-04 00:00:00

abstract：:The purpose of this study was to investigate labetalol as a potential high permeability reference standard for the application of Biopharmaceutics Classification Systems (BCS). Permeabilities of labetalol and metoprolol were investigated in animal intestinal perfusion models and Caco-2 cell monolayers. After isolating...

journal_title：Molecular pharmaceutics

authors： Incecayir T,Tsume Y,Amidon GL

更新日期：2013-03-04 00:00:00

abstract：:The barrier epithelia of the cornea and retina control drug and nutrient access to various compartments of the human eye. While ocular transporters are likely to play a critical role in homeostasis and drug delivery, little is known about their expression, localization and function. In this study, the mRNA expression ...

journal_title：Molecular pharmaceutics

authors： Dahlin A,Geier E,Stocker SL,Cropp CD,Grigorenko E,Bloomer M,Siegenthaler J,Xu L,Basile AS,Tang-Liu DD,Giacomini KM

更新日期：2013-02-04 00:00:00

abstract：:The development of cancer and fibrotic diseases has been shown to be highly dependent on disregulation of cap-dependent translation. Binding protein eIF4E to N(7)-methylated guanosine capped mRNA has been found to be the rate-limiting step governing translation initiation, and therefore represents an attractive target...

journal_title：Molecular pharmaceutics

authors： Li S,Jia Y,Jacobson B,McCauley J,Kratzke R,Bitterman PB,Wagner CR

更新日期：2013-02-04 00:00:00

abstract：:The thermal unfolding and subsequent aggregation of the unglycosylated Fc fragment of a human IgG1 antibody (Fc) were studied in the salt solutions of Na(2)SO(4), KF, KCl and KSCN at pH 4.8 and 7.2 below and at its pI of 7.2, respectively, using differential scanning calorimetry (DSC), far ultraviolet circular dichroi...

journal_title：Molecular pharmaceutics

authors： Zhang-van Enk J,Mason BD,Yu L,Zhang L,Hamouda W,Huang G,Liu D,Remmele RL Jr,Zhang J

更新日期：2013-02-04 00:00:00

abstract：:We present an in situ hydrophobic salt forming technique for the encapsulation of weakly hydrophobic, ionizable active pharmaceutical ingredients (API) into stable nanocarriers (NCs) formed via a rapid precipitation process. Traditionally, NC formation via rapid precipitation has been difficult with APIs in this class...

journal_title：Molecular pharmaceutics

authors： Pinkerton NM,Grandeury A,Fisch A,Brozio J,Riebesehl BU,Prud'homme RK

更新日期：2013-01-07 00:00:00

abstract：:Accumulating evidence suggests that EphB4 plays key roles in cancer progression in numerous cancer types. In fact, therapies focusing on EphB4 have become potentially important components of various cancer treatment strategies. However, tumor sensitivity to EphB4 suppression may not be uniform for different cancers. I...

journal_title：Molecular pharmaceutics

authors： Li D,Liu S,Liu R,Park R,Hughes L,Krasnoperov V,Gill PS,Li Z,Shan H,Conti PS

更新日期：2013-01-07 00:00:00

abstract：:OATP1B3 is a member of the OATP (organic anion transporting polypeptides) superfamily, responsible for mediating the transport of numerous endogenous and xenobiotic substances. Although initially reported to be exclusively expressed in the liver, several studies reported that OATP1B3 is frequently expressed in multipl...

journal_title：Molecular pharmaceutics

authors： Thakkar N,Kim K,Jang ER,Han S,Kim K,Kim D,Merchant N,Lockhart AC,Lee W

更新日期：2013-01-07 00:00:00

abstract：:Superoxide dismutase 1 (SOD1) efficiently catalyzes dismutation of superoxide, but its poor delivery to the target sites in the body, such as brain, hinders its use as a therapeutic agent for superoxide-associated disorders. Here to enhance the delivery of SOD1 across the blood-brain barrier (BBB) and in neurons the e...

journal_title：Molecular pharmaceutics

authors： Tong J,Yi X,Luxenhofer R,Banks WA,Jordan R,Zimmerman MC,Kabanov AV

更新日期：2013-01-07 00:00:00

abstract：:We investigated the feasibility and efficacy of a drug delivery strategy to vascularized cancer that combines targeting selectivity with high uptake by targeted cells and high bioexposure of cells to delivered chemotherapeutics. Targeted lipid vesicles composed of pH responsive membranes were designed to reversibly fo...

journal_title：Molecular pharmaceutics

authors： Bandekar A,Zhu C,Gomez A,Menzenski MZ,Sempkowski M,Sofou S

更新日期：2013-01-07 00:00:00

abstract：:The successful applicability of gene therapy approaches will heavily rely on the development of efficient and safe nonviral gene delivery vectors, for example, cell-penetrating peptides (CPPs). CPPs can condense oligonucleotides and plasmid DNA (pDNA) into nanoparticles, thus allowing the transfection of genetic mater...

journal_title：Molecular pharmaceutics

authors： Veiman KL,Mäger I,Ezzat K,Margus H,Lehto T,Langel K,Kurrikoff K,Arukuusk P,Suhorutšenko J,Padari K,Pooga M,Lehto T,Langel Ü

更新日期：2013-01-07 00:00:00

abstract：:In the present research a salt of vincamine, a poorly bioavailable indole alkaloid derived from the leaves of Vinca minor L., was synthesized in the solid state by means of a mechanochemical process employing citric acid as a reagent. The mechanochemical process was adopted as a solvent-free alternative to classical c...

journal_title：Molecular pharmaceutics

authors： Hasa D,Perissutti B,Cepek C,Bhardwaj S,Carlino E,Grassi M,Invernizzi S,Voinovich D

更新日期：2013-01-07 00:00:00

abstract：:The reaction of singlet oxygen with water to form hydrogen peroxide was catalyzed by antibodies and has been termed as the antibody catalyzed water oxidation pathway (ACWOP) (Nieva and Wentworth, Trends Biochem. Sci. 2004, 29, 274-278; Nieva et al. Immunol. Lett. 2006, 103, 33-38). While conserved and buried tryptopha...

journal_title：Molecular pharmaceutics

authors： Sreedhara A,Lau K,Li C,Hosken B,Macchi F,Zhan D,Shen A,Steinmann D,Schöneich C,Lentz Y

更新日期：2013-01-07 00:00:00

abstract：:Ratiometric fluorescence and cellular fractionation studies were employed to characterize the intracellular trafficking dynamics of antibody-poly(propylacrylic acid) (PPAA) conjugates in CD22+ RAMOS-AW cells. The HD39 monoclonal antibody (mAb) directs CD22-dependent, receptor-mediated uptake in human B-cell lymphoma c...

journal_title：Molecular pharmaceutics

authors： Berguig GY,Convertine AJ,Shi J,Palanca-Wessels MC,Duvall CL,Pun SH,Press OW,Stayton PS

更新日期：2012-12-03 00:00:00

abstract：:Retinal pigment epithelium, which forms the outer blood-retinal barrier, is a critical barrier for transport of drugs to the retina. The purpose of this study was to develop a pigmented MDCK (P-MDCK) cell line as a rapidly established in vitro model for the outer blood-retinal barrier to assess the influence of melani...

journal_title：Molecular pharmaceutics

authors： Kadam RS,Scheinman RI,Kompella UB

更新日期：2012-11-05 00:00:00

abstract：:The interaction with cervicovaginal mucus presents the potential to impact the performance of drug nanocarriers. These systems must migrate through this biological fluid in order to deliver their drug payload to the underlying mucosal surface. We studied the ability of dapivirine-loaded polycaprolactone (PCL)-based na...

journal_title：Molecular pharmaceutics

authors： das Neves J,Rocha CM,Gonçalves MP,Carrier RL,Amiji M,Bahia MF,Sarmento B

更新日期：2012-11-05 00:00:00

abstract：:Microspheres of bovine serum albumin (BSA) and silk fibroin are produced by applying ultrasound in a biphasic system consisting of an aqueous protein solution and an organic solvent. The protein microspheres are dispersed in an aqueous media where the protein remains at the interface covering the organic solvent. This...

journal_title：Molecular pharmaceutics

authors： Silva R,Ferreira H,Azoia NG,Shimanovich U,Freddi G,Gedanken A,Cavaco-Paulo A

更新日期：2012-11-05 00:00:00

abstract：:Extracellular β-glucuronidase (β-GUS) in tumors has been investigated as a target enzyme for prodrug therapy. However, despite encouraging preclinical results, animal studies also indicate that the success of prodrug therapy might be limited by the insufficient prodrug-converting enzyme activity, especially in small t...

journal_title：Molecular pharmaceutics

authors： Antunes IF,Haisma HJ,Elsinga PH,Di Gialleonardo V,van Waarde A,Willemsen AT,Dierckx RA,de Vries EF

更新日期：2012-11-05 00:00:00

abstract：:In this work, we investigated the relationship between various intermolecular hydrogen-bonding (H-bonding) interactions and the miscibility of the model hydrophobic drug naproxen with the hydrophilic polymer polyvinylpyrrolidone (PVP) across an entire composition range of solid dispersions prepared by quasi-equilibriu...

journal_title：Molecular pharmaceutics

authors： Paudel A,Nies E,Van den Mooter G

更新日期：2012-11-05 00:00:00

abstract：:Although nitric oxide (NO) is a bactericidal component of the macrophage's innate response to intracellular infections such as tuberculosis (TB), prolonged inhalation of NO gas has little benefit in chemotherapy of TB. The impact of controlled release of NO through intracellular delivery of NO donors to macrophages in...

journal_title：Molecular pharmaceutics

authors： Verma RK,Singh AK,Mohan M,Agrawal AK,Verma PR,Gupta A,Misra A

更新日期：2012-11-05 00:00:00

abstract：:Water-soluble camptothecin (CPT)-polyoxetane conjugates were synthesized using a clickable polymeric platform P(EAMO) that was made by polymerization of acetylene-functionalized 3-ethyl-3-(hydroxymethyl)oxetane (i.e., EAMO). CPT was first modified with a linker 6-azidohexanoic acid via an ester linkage to yield CPT-az...

journal_title：Molecular pharmaceutics

authors： Zolotarskaya OY,Wagner AF,Beckta JM,Valerie K,Wynne KJ,Yang H

更新日期：2012-11-05 00:00:00

abstract：:The applicability of the computational docking approach was investigated to create a novel method for quick additive screening to inhibit the crystallization taking place in amorphous drugs. Surface energy and attachment energy were utilized to recognize the morphologically most important crystal faces. The surfaces (...

journal_title：Molecular pharmaceutics

authors： Pajula K,Lehto VP,Ketolainen J,Korhonen O

更新日期：2012-10-01 00:00:00

abstract：:In this manuscript, we have reported a novel 2D fingerprint-based artificial neural network QSAR (FANN-QSAR) method in order to effectively predict biological activities of structurally diverse chemical ligands. Three different types of fingerprints, namely, ECFP6, FP2 and MACCS, were used in FANN-QSAR algorithm devel...

journal_title：Molecular pharmaceutics

authors： Myint KZ,Wang L,Tong Q,Xie XQ

更新日期：2012-10-01 00:00:00

abstract：:The particular characteristics of the tumor microenvironment have the potential to strongly promote tumor growth, metastasis and angiogenesis and induce drug resistance. Therefore, the development of effective, systemic therapeutic approaches specifically based on the tumor microenvironment is highly desirable. Hypoxi...

journal_title：Molecular pharmaceutics

authors： Liu XQ,Xiong MH,Shu XT,Tang RZ,Wang J

更新日期：2012-10-01 00:00:00

abstract：:Lipoplexes, composed of Lipofectamine and mRNA encoding HIV Gag protein, were shown to be internalized by dendritic cells (DCs) and promote antigen presentation to stimulate HIV-specific T cell responses. Using confocal microscopy, we showed that one-third of fluorescently labeled mRNA containing lipoplexes are coloca...

journal_title：Molecular pharmaceutics

authors： De Haes W,Van Mol G,Merlin C,De Smedt SC,Vanham G,Rejman J

更新日期：2012-10-01 00:00:00

abstract：:In this study, a facile strategy for efficient codelivery of gene and drug was developed. Using a coprecipitation method, doxorubicin hydrochloride (DOX), an antitumor drug, and p53 expression plasmid were encapsulated in alginate/CaCO(3)/DNA/DOX nanoparticles with high encapsulation efficiency. The in vitro cell inhi...

journal_title：Molecular pharmaceutics

authors： Zhao D,Liu CJ,Zhuo RX,Cheng SX

更新日期：2012-10-01 00:00:00

abstract：:The transfer of genetic material into cells using nonviral vectors offers unique potential for therapeutics; however, the efficacy of delivery depends upon a poorly understood, multistep pathway, limiting the prospects for successful gene delivery. Mechanistic insight into DNA association and release has been hampered...

journal_title：Molecular pharmaceutics

authors： Prevette LE,Nikolova EN,Al-Hashimi HM,Banaszak Holl MM

更新日期：2012-09-04 00:00:00

abstract：:Amphotericin B (AmB) loaded polymer lipid hybrid nanoparticles (AmB-PLNs) comprised of lecithin (anionic lipid) and gelatin (Type A, cationic below its isoelectric point 7.0-9.0) were prepared by a two-step desolvation method to improve the oral bioavailability of AmB. The optimized AmB-PLNs were found to have particl...

journal_title：Molecular pharmaceutics

authors： Jain S,Valvi PU,Swarnakar NK,Thanki K

更新日期：2012-09-04 00:00:00

abstract：:Our previous studies have demonstrated that a generation 5 dendrimer (G5) conjugated with both folic acid (FA) and methotrexate (MTX) has a higher chemotherapeutic index than MTX alone. Despite this, batch-to-batch inconsistencies in the number of FA and MTX molecules linked to each dendrimer led to conjugate batches ...

journal_title：Molecular pharmaceutics

authors： Thomas TP,Huang B,Choi SK,Silpe JE,Kotlyar A,Desai AM,Zong H,Gam J,Joice M,Baker JR Jr

更新日期：2012-09-04 00:00:00

abstract：:The present study explores the potential of polyelectrolyte-coated liposomes for improving the oral deliverability of doxorubicin (Dox). As a part of formulation strategy, stearyl amine was selected as a formulation component to provide positive charge to liposomes, which were subsequently coated with anionic poly(acr...

journal_title：Molecular pharmaceutics

authors： Jain S,Patil SR,Swarnakar NK,Agrawal AK

更新日期：2012-09-04 00:00:00

abstract：:The purpose of this study was to examine and compare the melanoma targeting and imaging properties of (64)Cu-NOTA-GGNle-CycMSH(hex) {(64)Cu-1,4,7-triazacyclononane-1,4,7-triacetic acid-Gly-Gly-Nle-c[Asp-His-DPhe-Arg-Trp-Lys]-CONH2} and (64)Cu-DOTA-GGNle-CycMSH(hex) {(64)Cu-1,4,7,10-tetraazacyclononane-1,4,7,10-tetraac...

journal_title：Molecular pharmaceutics

authors： Guo H,Miao Y

更新日期：2012-08-06 00:00:00

abstract：:The aims of this work were to study pharmacokinetics of randomly selected drugs in plasma and saliva samples in healthy human volunteers, and to introduce a Salivary Excretion Classification System. Saliva and plasma samples were collected for 3-5 half-life values of sitagliptin, cinacalcet, metformin, montelukast, to...

journal_title：Molecular pharmaceutics

authors： Idkaidek N,Arafat T

更新日期：2012-08-06 00:00:00