TY  - CONF
AU  - Bangay, Gabrielle
AU  - Isca, Vera M. S.
AU  - Dos Santos, Daniel J. V. A.
AU  - Ferreira, Ricardo J.
AU  - Princiotto, Salvatore
AU  - Jovanović, Mirna
AU  - Pešić, Milica
AU  - Rijo, Patricia
PY  - 2022
UR  - http://radar.ibiss.bg.ac.rs/handle/123456789/5471
AB  - The number of multidrug resistant (MDR) cancer cases across the globe is continuing to rise,
such that the search for novel anti-cancer therapeutics is paramount. For instance, the overexpression
of membrane transport proteins, such as P-glycoprotein (P-gp), or the selective modulation of protein
kinases C (PKC) isoforms continues to be a major impediment to effective therapy. Known for
their medicinal properties, species from Plectranthus have been reported to have cytotoxicity against
various cancer cell lines due to diterpenes, such as 7 -acetoxy-6 -hydroxyroyleanone (Roy) and 6,7-
dehydroroyleanone (DeRoy). Based on molecular docking simulations, 10 semi-synthetic derivatives
of Roy that displayed strong P-gp interactions in silico were prepared. The antitumoral activity was
evaluated in resistant human cancer cell lines NCI-H460/R and DLD1-TxR, showing three derivatives
having the most prominent selectivity towards cancer cells, compared to normal lung fibroblasts
MRC5. Moreover, they showed a reduction in P-gp activity in Rho123 accumulation and indicated
P-gp inhibition in the DOX accumulation assay using the same resistant cell lines. Overall, it was
demonstrated that three abietane diterpenoids induced P-gp inhibition in MDR cancer cell lines. As
regards the PKC activity, further analogues were tested as PKC ( ,  I,  , " and  ) modulators; one
benzoylated derivative showed the ability to selectively activate PKC- , while the natural compound
DeRoy displayed improved PKC activity, compared with the positive control, in all tested isoforms.
Further investigations are ongoing to prepare analogues of other biologically active diterpenoids to
obtain potential hits as P-gp and PKC modulators.
PB  - Basel: MDPI
C3  - The 8th International Electronic Conference on Medicinal Chemistry; 2022 Nov 1-30; Virtual Event
T1  - Royleanone Analogues from Plectranthus spp. Demonstrate P-gp Inhibition and PKC Modulation
DO  - 10.3390/ECMC2022-13459
SP  - 144
ER  - 

@conference{
author = "Bangay, Gabrielle and Isca, Vera M. S. and Dos Santos, Daniel J. V. A. and Ferreira, Ricardo J. and Princiotto, Salvatore and Jovanović, Mirna and Pešić, Milica and Rijo, Patricia",
year = "2022",
abstract = "The number of multidrug resistant (MDR) cancer cases across the globe is continuing to rise,
such that the search for novel anti-cancer therapeutics is paramount. For instance, the overexpression
of membrane transport proteins, such as P-glycoprotein (P-gp), or the selective modulation of protein
kinases C (PKC) isoforms continues to be a major impediment to effective therapy. Known for
their medicinal properties, species from Plectranthus have been reported to have cytotoxicity against
various cancer cell lines due to diterpenes, such as 7 -acetoxy-6 -hydroxyroyleanone (Roy) and 6,7-
dehydroroyleanone (DeRoy). Based on molecular docking simulations, 10 semi-synthetic derivatives
of Roy that displayed strong P-gp interactions in silico were prepared. The antitumoral activity was
evaluated in resistant human cancer cell lines NCI-H460/R and DLD1-TxR, showing three derivatives
having the most prominent selectivity towards cancer cells, compared to normal lung fibroblasts
MRC5. Moreover, they showed a reduction in P-gp activity in Rho123 accumulation and indicated
P-gp inhibition in the DOX accumulation assay using the same resistant cell lines. Overall, it was
demonstrated that three abietane diterpenoids induced P-gp inhibition in MDR cancer cell lines. As
regards the PKC activity, further analogues were tested as PKC ( ,  I,  , " and  ) modulators; one
benzoylated derivative showed the ability to selectively activate PKC- , while the natural compound
DeRoy displayed improved PKC activity, compared with the positive control, in all tested isoforms.
Further investigations are ongoing to prepare analogues of other biologically active diterpenoids to
obtain potential hits as P-gp and PKC modulators.",
publisher = "Basel: MDPI",
journal = "The 8th International Electronic Conference on Medicinal Chemistry; 2022 Nov 1-30; Virtual Event",
title = "Royleanone Analogues from Plectranthus spp. Demonstrate P-gp Inhibition and PKC Modulation",
doi = "10.3390/ECMC2022-13459",
pages = "144"
}

Bangay, G., Isca, V. M. S., Dos Santos, D. J. V. A., Ferreira, R. J., Princiotto, S., Jovanović, M., Pešić, M.,& Rijo, P.. (2022). Royleanone Analogues from Plectranthus spp. Demonstrate P-gp Inhibition and PKC Modulation. in The 8th International Electronic Conference on Medicinal Chemistry; 2022 Nov 1-30; Virtual Event
Basel: MDPI., 144.
https://doi.org/10.3390/ECMC2022-13459

Bangay G, Isca VMS, Dos Santos DJVA, Ferreira RJ, Princiotto S, Jovanović M, Pešić M, Rijo P. Royleanone Analogues from Plectranthus spp. Demonstrate P-gp Inhibition and PKC Modulation. in The 8th International Electronic Conference on Medicinal Chemistry; 2022 Nov 1-30; Virtual Event. 2022;:144.
doi:10.3390/ECMC2022-13459 .

Bangay, Gabrielle, Isca, Vera M. S., Dos Santos, Daniel J. V. A., Ferreira, Ricardo J., Princiotto, Salvatore, Jovanović, Mirna, Pešić, Milica, Rijo, Patricia, "Royleanone Analogues from Plectranthus spp. Demonstrate P-gp Inhibition and PKC Modulation" in The 8th International Electronic Conference on Medicinal Chemistry; 2022 Nov 1-30; Virtual Event (2022):144,
https://doi.org/10.3390/ECMC2022-13459 . .

TY  - JOUR
AU  - Garcia, Catarina
AU  - Isca, Vera
AU  - Pereira, Filipe
AU  - Monteiro, Carlos
AU  - Ntungwe, Epole
AU  - Sousa, Francisco
AU  - Dinić, Jelena
AU  - Holmstedt, Suvi
AU  - Roberto, Amílcar
AU  - Díaz-Lanza, Ana
AU  - Reis, Catarina
AU  - Pešić, Milica
AU  - Candeias, Nuno
AU  - Ferreira, Ricardo
AU  - Duarte, Noélia
AU  - Afonso, Carlos
AU  - Rijo, Patrícia
PY  - 2020
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/4261
AB  - Cancer is among the leading causes of death worldwide. One of the most challenging obstacles in cancer treatment is multidrug resistance (MDR). Overexpression of P-glycoprotein (P-gp) is associated with MDR. The growing incidence of cancer and the development of MDR drive the search for novel and more effective anticancer drugs to overcome the MDR problem. Royleanones are natural bioactive compounds frequently found in Plectranthus spp. The cytotoxic diterpene 6,7-dehydroroyleanone (1) is the main component of the P. madagascariensis (Pers.) Benth. essential oil, while 7α-acetoxy-6β-hydroxyroyleanone (2) can be isolated from acetonic extracts of P. grandidentatus Gürke. The reactivity of the natural royleanones 1 and 2 was explored to obtain a small library of new P-gp inhibitors. Four new derivatives (6,7-dehydro-12-O-tert-butyl-carbonate-royleanone (20), 6,7-dehydro-12-O-methylroyleanone (21), 6,7-dehydro-12-O-benzoylroyleanone (22), and 7α-acetoxy-6β-hydroxy-12-O-benzoylroyleanone (23) were obtained as pure with overall modest to excellent yields (21-97%). P-gp inhibition potential of the derivatives 20-23 was evaluated in human non-small cell lung carcinoma NCI-H460 and its MDR counterpart NCI-H460/R with the P-gp overexpression, through MTT assay. Previously prepared diterpene 7α-acetoxy-6β-benzoyloxy-12-O-(4-chloro)benzoylroyleanone (4), has also been tested. The P-gp inhibiting effects of compounds 1-4 were also assessed through a Rhodamine 123 accumulation assay. Derivatives 4 and 23 have significant P-gp inhibitory potential. Regarding stability and P-gp inhibition potential, results suggest that the formation of benzoyl esters is a more convenient approach for future derivatives with enhanced effect on the cell viability decrease. Compound 4 presented higher anti-P-gp potential than the natural diterpenes 1, 2, and 3, with comparable inhibitory potential to Dexverapamil. Moreover, derivative 4 showed the ability to sensitize the resistant NCI-H460/R cells to doxorubicin.
PB  - Lausanne : Frontiers
T2  - Frontiers in Pharmacology
T1  - Royleanone Derivatives From Plectranthus spp. as a Novel Class of P-Glycoprotein Inhibitors
VL  - 11
DO  - 10.3389/fphar.2020.557789
SP  - 557789
ER  - 

@article{
author = "Garcia, Catarina and Isca, Vera and Pereira, Filipe and Monteiro, Carlos and Ntungwe, Epole and Sousa, Francisco and Dinić, Jelena and Holmstedt, Suvi and Roberto, Amílcar and Díaz-Lanza, Ana and Reis, Catarina and Pešić, Milica and Candeias, Nuno and Ferreira, Ricardo and Duarte, Noélia and Afonso, Carlos and Rijo, Patrícia",
year = "2020",
abstract = "Cancer is among the leading causes of death worldwide. One of the most challenging obstacles in cancer treatment is multidrug resistance (MDR). Overexpression of P-glycoprotein (P-gp) is associated with MDR. The growing incidence of cancer and the development of MDR drive the search for novel and more effective anticancer drugs to overcome the MDR problem. Royleanones are natural bioactive compounds frequently found in Plectranthus spp. The cytotoxic diterpene 6,7-dehydroroyleanone (1) is the main component of the P. madagascariensis (Pers.) Benth. essential oil, while 7α-acetoxy-6β-hydroxyroyleanone (2) can be isolated from acetonic extracts of P. grandidentatus Gürke. The reactivity of the natural royleanones 1 and 2 was explored to obtain a small library of new P-gp inhibitors. Four new derivatives (6,7-dehydro-12-O-tert-butyl-carbonate-royleanone (20), 6,7-dehydro-12-O-methylroyleanone (21), 6,7-dehydro-12-O-benzoylroyleanone (22), and 7α-acetoxy-6β-hydroxy-12-O-benzoylroyleanone (23) were obtained as pure with overall modest to excellent yields (21-97%). P-gp inhibition potential of the derivatives 20-23 was evaluated in human non-small cell lung carcinoma NCI-H460 and its MDR counterpart NCI-H460/R with the P-gp overexpression, through MTT assay. Previously prepared diterpene 7α-acetoxy-6β-benzoyloxy-12-O-(4-chloro)benzoylroyleanone (4), has also been tested. The P-gp inhibiting effects of compounds 1-4 were also assessed through a Rhodamine 123 accumulation assay. Derivatives 4 and 23 have significant P-gp inhibitory potential. Regarding stability and P-gp inhibition potential, results suggest that the formation of benzoyl esters is a more convenient approach for future derivatives with enhanced effect on the cell viability decrease. Compound 4 presented higher anti-P-gp potential than the natural diterpenes 1, 2, and 3, with comparable inhibitory potential to Dexverapamil. Moreover, derivative 4 showed the ability to sensitize the resistant NCI-H460/R cells to doxorubicin.",
publisher = "Lausanne : Frontiers",
journal = "Frontiers in Pharmacology",
title = "Royleanone Derivatives From Plectranthus spp. as a Novel Class of P-Glycoprotein Inhibitors",
volume = "11",
doi = "10.3389/fphar.2020.557789",
pages = "557789"
}

Garcia, C., Isca, V., Pereira, F., Monteiro, C., Ntungwe, E., Sousa, F., Dinić, J., Holmstedt, S., Roberto, A., Díaz-Lanza, A., Reis, C., Pešić, M., Candeias, N., Ferreira, R., Duarte, N., Afonso, C.,& Rijo, P.. (2020). Royleanone Derivatives From Plectranthus spp. as a Novel Class of P-Glycoprotein Inhibitors. in Frontiers in Pharmacology
Lausanne : Frontiers., 11, 557789.
https://doi.org/10.3389/fphar.2020.557789

Garcia C, Isca V, Pereira F, Monteiro C, Ntungwe E, Sousa F, Dinić J, Holmstedt S, Roberto A, Díaz-Lanza A, Reis C, Pešić M, Candeias N, Ferreira R, Duarte N, Afonso C, Rijo P. Royleanone Derivatives From Plectranthus spp. as a Novel Class of P-Glycoprotein Inhibitors. in Frontiers in Pharmacology. 2020;11:557789.
doi:10.3389/fphar.2020.557789 .

Garcia, Catarina, Isca, Vera, Pereira, Filipe, Monteiro, Carlos, Ntungwe, Epole, Sousa, Francisco, Dinić, Jelena, Holmstedt, Suvi, Roberto, Amílcar, Díaz-Lanza, Ana, Reis, Catarina, Pešić, Milica, Candeias, Nuno, Ferreira, Ricardo, Duarte, Noélia, Afonso, Carlos, Rijo, Patrícia, "Royleanone Derivatives From Plectranthus spp. as a Novel Class of P-Glycoprotein Inhibitors" in Frontiers in Pharmacology, 11 (2020):557789,
https://doi.org/10.3389/fphar.2020.557789 . .

TY  - JOUR
AU  - Isca, Vera M. S.
AU  - Ferreira, Ricardo J.
AU  - Garcia, Catarina
AU  - Monteiro, Carlos M.
AU  - Dinić, Jelena
AU  - Holmstedt, Suvi
AU  - André, Vânia
AU  - Pešić, Milica
AU  - Dos Santos, Daniel J. V. A.
AU  - Candeias, Nuno R.
AU  - Afonso, Carlos A. M.
AU  - Rijo, Patrícia
PY  - 2020
UR  - https://pubs.acs.org/doi/10.1021/acsmedchemlett.9b00642
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3820
AB  - The development of multidrug resistance (MDR) is a major cause of failure in cancer chemotherapy. Several abietane diterpenes with antitumoral activities have been isolated from Plectranthus spp. such as 6,7-dehydroroyleanone (DHR, 1) and 7α-acetoxy-6β-hydroxyroyleanone (AHR, 2). Several royleanone derivatives were prepared through hemisynthesis from natural compounds 1 and 2 to achieve a small library of products with enhanced anti-P-glycoprotein activity. Nonetheless, some derivatives tend to be unstable. Therefore, to reason such lack of stability, the electron density based local reactivity descriptors condensed Fukui functions and dual descriptor were calculated for several derivatives of DHR. Additionally, molecular docking and molecular dynamics studies were performed on several other derivatives to clarify the molecular mechanisms by which they may exert their inhibitory effect in P-gp activity. The analysis on local reactivity descriptors was important to understand possible degradation pathways and to guide further synthetic approaches toward new royleanone derivatives. A molecular docking study suggested that the presence of aromatic moieties increases the binding affinity of royleanone derivatives toward P-gp. It further suggests that one royleanone benzoylated derivative may act as a noncompetitive efflux modulator when bound to the M-site. The future generation of novel royleanone derivatives will involve (i) a selective modification of position C-12 with chemical moieties smaller than unsubstituted benzoyl rings and (ii) the modification of the substitution pattern of the benzoyloxy moiety at position C-6.
PB  - Washington : ACS Publications
T2  - ACS Medicinal Chemistry Letters
T1  - Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors
IS  - 5
VL  - 11
DO  - 10.1021/acsmedchemlett.9b00642
SP  - 839
EP  - 845
ER  - 

@article{
author = "Isca, Vera M. S. and Ferreira, Ricardo J. and Garcia, Catarina and Monteiro, Carlos M. and Dinić, Jelena and Holmstedt, Suvi and André, Vânia and Pešić, Milica and Dos Santos, Daniel J. V. A. and Candeias, Nuno R. and Afonso, Carlos A. M. and Rijo, Patrícia",
year = "2020",
abstract = "The development of multidrug resistance (MDR) is a major cause of failure in cancer chemotherapy. Several abietane diterpenes with antitumoral activities have been isolated from Plectranthus spp. such as 6,7-dehydroroyleanone (DHR, 1) and 7α-acetoxy-6β-hydroxyroyleanone (AHR, 2). Several royleanone derivatives were prepared through hemisynthesis from natural compounds 1 and 2 to achieve a small library of products with enhanced anti-P-glycoprotein activity. Nonetheless, some derivatives tend to be unstable. Therefore, to reason such lack of stability, the electron density based local reactivity descriptors condensed Fukui functions and dual descriptor were calculated for several derivatives of DHR. Additionally, molecular docking and molecular dynamics studies were performed on several other derivatives to clarify the molecular mechanisms by which they may exert their inhibitory effect in P-gp activity. The analysis on local reactivity descriptors was important to understand possible degradation pathways and to guide further synthetic approaches toward new royleanone derivatives. A molecular docking study suggested that the presence of aromatic moieties increases the binding affinity of royleanone derivatives toward P-gp. It further suggests that one royleanone benzoylated derivative may act as a noncompetitive efflux modulator when bound to the M-site. The future generation of novel royleanone derivatives will involve (i) a selective modification of position C-12 with chemical moieties smaller than unsubstituted benzoyl rings and (ii) the modification of the substitution pattern of the benzoyloxy moiety at position C-6.",
publisher = "Washington : ACS Publications",
journal = "ACS Medicinal Chemistry Letters",
title = "Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors",
number = "5",
volume = "11",
doi = "10.1021/acsmedchemlett.9b00642",
pages = "839-845"
}

Isca, V. M. S., Ferreira, R. J., Garcia, C., Monteiro, C. M., Dinić, J., Holmstedt, S., André, V., Pešić, M., Dos Santos, D. J. V. A., Candeias, N. R., Afonso, C. A. M.,& Rijo, P.. (2020). Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors. in ACS Medicinal Chemistry Letters
Washington : ACS Publications., 11(5), 839-845.
https://doi.org/10.1021/acsmedchemlett.9b00642

Isca VMS, Ferreira RJ, Garcia C, Monteiro CM, Dinić J, Holmstedt S, André V, Pešić M, Dos Santos DJVA, Candeias NR, Afonso CAM, Rijo P. Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors. in ACS Medicinal Chemistry Letters. 2020;11(5):839-845.
doi:10.1021/acsmedchemlett.9b00642 .

Isca, Vera M. S., Ferreira, Ricardo J., Garcia, Catarina, Monteiro, Carlos M., Dinić, Jelena, Holmstedt, Suvi, André, Vânia, Pešić, Milica, Dos Santos, Daniel J. V. A., Candeias, Nuno R., Afonso, Carlos A. M., Rijo, Patrícia, "Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors" in ACS Medicinal Chemistry Letters, 11, no. 5 (2020):839-845,
https://doi.org/10.1021/acsmedchemlett.9b00642 . .

TY  - JOUR
AU  - Isca, Vera M. S.
AU  - Ferreira, Ricardo J.
AU  - Garcia, Catarina
AU  - Monteiro, Carlos M.
AU  - Dinić, Jelena
AU  - Holmstedt, Suvi
AU  - André, Vânia
AU  - Pešić, Milica
AU  - Dos Santos, Daniel J. V. A.
AU  - Candeias, Nuno R.
AU  - Afonso, Carlos A. M.
AU  - Rijo, Patrícia
PY  - 2020
UR  - https://pubs.acs.org/doi/10.1021/acsmedchemlett.9b00642
UR  - https://radar.ibiss.bg.ac.rs/handle/123456789/3817
AB  - The development of multidrug resistance (MDR) is a major cause of failure in cancer chemotherapy. Several abietane diterpenes with antitumoral activities have been isolated from Plectranthus spp. such as 6,7-dehydroroyleanone (DHR, 1) and 7α-acetoxy-6β-hydroxyroyleanone (AHR, 2). Several royleanone derivatives were prepared through hemisynthesis from natural compounds 1 and 2 to achieve a small library of products with enhanced anti-P-glycoprotein activity. Nonetheless, some derivatives tend to be unstable. Therefore, to reason such lack of stability, the electron density based local reactivity descriptors condensed Fukui functions and dual descriptor were calculated for several derivatives of DHR. Additionally, molecular docking and molecular dynamics studies were performed on several other derivatives to clarify the molecular mechanisms by which they may exert their inhibitory effect in P-gp activity. The analysis on local reactivity descriptors was important to understand possible degradation pathways and to guide further synthetic approaches toward new royleanone derivatives. A molecular docking study suggested that the presence of aromatic moieties increases the binding affinity of royleanone derivatives toward P-gp. It further suggests that one royleanone benzoylated derivative may act as a noncompetitive efflux modulator when bound to the M-site. The future generation of novel royleanone derivatives will involve (i) a selective modification of position C-12 with chemical moieties smaller than unsubstituted benzoyl rings and (ii) the modification of the substitution pattern of the benzoyloxy moiety at position C-6.
PB  - Washington : ACS Publications
T2  - ACS Medicinal Chemistry Letters
T1  - Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors
IS  - 5
VL  - 11
DO  - 10.1021/acsmedchemlett.9b00642
SP  - 839
EP  - 845
ER  - 

@article{
author = "Isca, Vera M. S. and Ferreira, Ricardo J. and Garcia, Catarina and Monteiro, Carlos M. and Dinić, Jelena and Holmstedt, Suvi and André, Vânia and Pešić, Milica and Dos Santos, Daniel J. V. A. and Candeias, Nuno R. and Afonso, Carlos A. M. and Rijo, Patrícia",
year = "2020",
abstract = "The development of multidrug resistance (MDR) is a major cause of failure in cancer chemotherapy. Several abietane diterpenes with antitumoral activities have been isolated from Plectranthus spp. such as 6,7-dehydroroyleanone (DHR, 1) and 7α-acetoxy-6β-hydroxyroyleanone (AHR, 2). Several royleanone derivatives were prepared through hemisynthesis from natural compounds 1 and 2 to achieve a small library of products with enhanced anti-P-glycoprotein activity. Nonetheless, some derivatives tend to be unstable. Therefore, to reason such lack of stability, the electron density based local reactivity descriptors condensed Fukui functions and dual descriptor were calculated for several derivatives of DHR. Additionally, molecular docking and molecular dynamics studies were performed on several other derivatives to clarify the molecular mechanisms by which they may exert their inhibitory effect in P-gp activity. The analysis on local reactivity descriptors was important to understand possible degradation pathways and to guide further synthetic approaches toward new royleanone derivatives. A molecular docking study suggested that the presence of aromatic moieties increases the binding affinity of royleanone derivatives toward P-gp. It further suggests that one royleanone benzoylated derivative may act as a noncompetitive efflux modulator when bound to the M-site. The future generation of novel royleanone derivatives will involve (i) a selective modification of position C-12 with chemical moieties smaller than unsubstituted benzoyl rings and (ii) the modification of the substitution pattern of the benzoyloxy moiety at position C-6.",
publisher = "Washington : ACS Publications",
journal = "ACS Medicinal Chemistry Letters",
title = "Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors",
number = "5",
volume = "11",
doi = "10.1021/acsmedchemlett.9b00642",
pages = "839-845"
}

Isca, V. M. S., Ferreira, R. J., Garcia, C., Monteiro, C. M., Dinić, J., Holmstedt, S., André, V., Pešić, M., Dos Santos, D. J. V. A., Candeias, N. R., Afonso, C. A. M.,& Rijo, P.. (2020). Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors. in ACS Medicinal Chemistry Letters
Washington : ACS Publications., 11(5), 839-845.
https://doi.org/10.1021/acsmedchemlett.9b00642

Isca VMS, Ferreira RJ, Garcia C, Monteiro CM, Dinić J, Holmstedt S, André V, Pešić M, Dos Santos DJVA, Candeias NR, Afonso CAM, Rijo P. Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors. in ACS Medicinal Chemistry Letters. 2020;11(5):839-845.
doi:10.1021/acsmedchemlett.9b00642 .

Isca, Vera M. S., Ferreira, Ricardo J., Garcia, Catarina, Monteiro, Carlos M., Dinić, Jelena, Holmstedt, Suvi, André, Vânia, Pešić, Milica, Dos Santos, Daniel J. V. A., Candeias, Nuno R., Afonso, Carlos A. M., Rijo, Patrícia, "Molecular Docking Studies of Royleanone Diterpenoids from Plectranthus spp. as P-Glycoprotein Inhibitors" in ACS Medicinal Chemistry Letters, 11, no. 5 (2020):839-845,
https://doi.org/10.1021/acsmedchemlett.9b00642 . .