Theoretical evaluation of the performance of IRMOFs and M-MOF-74 in the formation of 5-fluorouracil@MOF

Rodrigues, Nailton M.; Martins, João B. L.

doi:10.1039/d1ra05068k

Cited by 13 publications

(6 citation statements)

References 64 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The Mg-MOF-74 was synthesized using its established solvothermal procedure. , It is also noted here that many of the physiochemical properties of Mg-MOF-74 can be found elsewhere. − The combined curcumin and ibuprofen loadings were impregnated onto Mg-MOF-74 using the wet-impregnation technique detailed in our earlier works (Figure ). ,, Briefly, the desired amount of drug was dissolved in 20 mL of MeOH via sonication for 15 min.…”

Section: Methodsmentioning

confidence: 99%

Combined Ibuprofen and Curcumin Delivery Using Mg-MOF-74 as a Single Nanocarrier

Lawson

Rownaghi

Rezaei

2021

ACS Appl. Bio Mater.

View full text Add to dashboard Cite

Metal–organic frameworks (MOFs) have been extensively used as drug delivery platforms because of their considerable textural properties and physiochemical tunability. However, most medicinal treatments often administer multiple therapeutic pharmaceuticals simultaneously and combined drug delivery over a single MOF carrier has not been extensively developed. As such, in this study we implemented Mg-MOF-74, which is known to have rapid pharmacokinetic properties, for the combined delivery of ibuprofen and curcumin to demonstrate the proof-of-concept for dual-drug delivery over this previously unexplored MOF. To this end, 30 wt % total drug loading of two drugs was impregnated at various ratios (25:5 ibuprofen–curcumin, 20:5 ibuprofen–curcumin, 15:15 ibuprofen–curcumin, 10:20 ibuprofen–curcumin, and 5:25 ibuprofen–curcumin), and the drug delivery performance of the materials was assessed from 0 to 24 h in phosphate-buffered saline (PBS) solution using high-performance liquid chromatography (HPLC). The experiments revealed that all five ratios of ibuprofen–curcumin loadings can effectively deliver both compounds; however, elevating the curcumin loading beyond 10 wt % decreases the drug loading efficiency for ibuprofen and can also inhibit ibuprofen release. Nevertheless, because Mg-MOF-74 was able to successfully deliver both compounds, this study serves as a promising proof-of-concept for dual-drug delivery from a single MOF carrier. In this regard, the work demonstrated herein expands the use of MOFs for drug delivery applications and can be used to supplement drug administration via orally ingested tablets.

show abstract

Section: Methodsmentioning

confidence: 99%

Combined Ibuprofen and Curcumin Delivery Using Mg-MOF-74 as a Single Nanocarrier

Lawson

Rownaghi

Rezaei

2021

ACS Appl. Bio Mater.

View full text Add to dashboard Cite

show abstract

“…Drug-delivery systems (DDSs) can be used to reduce the side effects, provide controlled release, and selectively target cancer-related diseases. − Metal–organic frameworks (MOFs) have become promising candidates as DDSs due to their well-defined structures, tunable pore size, high surface area, high loading/release of guest compounds, amphiphilic internal microenvironment, and pH-dependent degradation under simulated physiological conditions. − For example, the organic ligand 1,1′-biphenyl-4,4′-dicarboxylic acid (BPDC) has produced various porous frameworks: UiO-67 (Zr), UiO-67-(NH 2 ) 2 (Zr), bio-MOF-1 (Zn), and BPDC-Zr. ,,− These materials have been employed as carriers for the intracellular delivery of chemotherapeutic agents such as pemetrexed, 5-fluorouracil (5-FU), and Ru-90, and other pharmaceutical compounds such as brimonidine, calcein, and α-cyano-4-hydroxycinnamic acid. ,,− Specifically, 5-FU (∼6 wt %) and pemetrexed (∼18 wt %) were simultaneously loaded into UiO-67-(NH 2 ) 2 ; this MOF showed a pH-dependent release of both drugs in simulated physiological buffers . In addition, commercial BPs were employed recently to generate ALEN-, ZOLE-, and RISE-based coordination complexes and demonstrated suitable pH-dependent degradation, bone affinity [e.g., nano -Ca@ZOLE to hydroxyapatite (HA), 36%, 1 day], and cytotoxicity [e.g., nano -Ca@ALEN, relative cell viability (%RCV) = 38 ± 1% at 7.5 μM in 72 h] against the MDA-MB-231 cell line. − However, these BP-based coordination complexes did not lead to porous materials able to encapsulate guest molecules. − Furthermore, the reaction of benzene-1,4-bis(bisphosphonic acid) (BBPA), the BP analogue of benzene-1,4-dicarboxylic acid (BDC), coordinated with Ca 2+ successfully led to BBPA-Ca form I, a 3D framework with channels (7 × 12 Å) large enough to encapsulate and release 5-FU (∼30 wt %) .…”

Section: Introductionmentioning

confidence: 99%

High-Affinity Extended Bisphosphonate-Based Coordination Polymers as Promising Candidates for Bone-Targeted Drug Delivery

Carmona-Sarabia,

Quiñones Vélez,

Mojica-Vázquez

et al. 2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Extended bisphosphonate-based coordination polymers (BPCPs) were produced when 1,1′-biphenyl-4,4′-bisphosphonic acid (BPBPA), the analogue of 1,1′-biphenyl-4,4′-dicarboxylic acid (BPDC), reacted with bioactive metals (Ca2+, Zn2+, and Mg2+). BPBPA-Ca (11 Å × 12 Å), BPBPA-Zn (10 Å × 13 Å), and BPBPA-Mg (8 Å × 11 Å) possess channels that allow the encapsulation of letrozole (LET), an antineoplastic drug that combined with BPs treats breast-cancer-induced osteolytic metastases (OM). Dissolution curves obtained in phosphate-buffered saline (PBS) and fasted-state simulated gastric fluid (FaSSGF) demonstrate the pH-dependent degradation of BPCPs. Specifically, the results show that the structure of BPBPA-Ca is preserved in PBS (∼10% release of BPBPA) and collapses in FaSSGF. Moreover, the phase inversion temperature nanoemulsion method yielded nano-Ca@BPBPA (∼160 d. nm), a material with measurably higher (>1.5x) binding to hydroxyapatite than commercial BPs. Furthermore, it was found that the amounts of LET encapsulated and released (∼20 wt %) from BPBPA-Ca and nano-Ca@BPBPA are comparable to those of BPDC-based CPs [i.e., UiO-67-(NH2)2, BPDC-Zr, and bio-MOF-1], where other antineoplastic drugs have been loaded and released under similar conditions. Cell viability assays show that, at 12.5 μM, the drug-loaded nano-Ca@BPBPA exhibits higher cytotoxicity against breast cancer cells MCF-7 and MDA-MB-231 [relative cell viability (%RCV) = 20 ± 1 and 45 ± 4%] compared with LET (%RCV = 70 ± 1 and 99 ± 1%). At this concentration, no significant cytotoxicity was found for the hFOB 1.19 cells treated with drug-loaded nano-Ca@BPBPA and LET (%RCV = 100 ± 1%). Collectively, these results demonstrate the potential of nano-Ca@BPCPs as promising drug-delivery systems to treat OM or other bone-related diseases because these present measurably higher affinity, allowing bone-targeted drug delivery under acidic environments and effecting cytotoxicity on estrogen receptor-positive and triple-negative breast cancer cell lines known to induce bone metastases, without significantly affecting normal osteoblasts at the metastatic site.

show abstract

“…The GCMC simulations were conducted by Kotzabasaki et al, and the uptake of gemcitabine was calculated using IRMOF-74-III as an anticancer platform for gemcitabine delivery . GCMC simulation was employed to gain valuable insights into the adsorption behavior of 5-fluorouracil on various MOFs including IRMOF-1, IRMOF-8, IRMOF-10, Mg-MOF74, Fe-MOF74, Cu-MOF74, and Zn-MOF74 . Recent computational studies by our research group have identified MOF-123, MUT-3, and MUT-2 as potential carriers of 5-FU. , Moreover, our research group has evaluated MUT-6 and MUT-7 as candidates for carrying Quercetin …”

Section: Introductionmentioning

confidence: 99%

Computational Simulation of a Three-Dimensional Mg-based Metal–Organic Framework as Nanoporous Anticancer Drug Carrier

Parsaei,

Akhbari,

Tylianakis

et al. 2023

Crystal Growth & Design

View full text Add to dashboard Cite

In this research, a 3D Mg-based metal−organic f r a m e w o r k ( M U T -8 ) w i t h t h e f o r m u l a [Mg 5 (DBrTPA) 4 (DMF) 6 (HCOO) 2 ] [DBrTPA = 2,5-dibromoterephthalic acid] was prepared through a solvothermal reaction with and without ultrasonic radiation. Single-crystal X-ray crystallography was used to solve the crystal structure, and several techniques were employed to characterize the structure thoroughly. Moreover, an investigation was carried out to evaluate the solvent stability of MUT-8 across a range of organic solvents. Furthermore, computational simulations were employed to assess the drug-loading capabilities and the capacity of MUT-8. Based on Grand Canonical Monte Carlo simulations (GCMC), MUT-8 was determined to be an effective nanoporous drug carrier for the Quercetin anticancer drug, exhibiting significant uptake even at extremely low fugacity levels and achieving a saturation loading of 300 mg/mg.

show abstract

Theoretical evaluation of the performance of IRMOFs and M-MOF-74 in the formation of 5-fluorouracil@MOF

Abstract: Drug delivery systems are a viable resource to be used in medical treatments that tend to be very aggressive to patients, increasing the bioavailability.

Cited by 13 publications

References 64 publications

Combined Ibuprofen and Curcumin Delivery Using Mg-MOF-74 as a Single Nanocarrier

Combined Ibuprofen and Curcumin Delivery Using Mg-MOF-74 as a Single Nanocarrier

High-Affinity Extended Bisphosphonate-Based Coordination Polymers as Promising Candidates for Bone-Targeted Drug Delivery

Computational Simulation of a Three-Dimensional Mg-based Metal–Organic Framework as Nanoporous Anticancer Drug Carrier

Contact Info

Product

Resources

About