Potentilla tormentilla Extract Loaded Gel: Formulation, In Vivo and In Silico Evaluation of Anti-Inflammatory Properties
Abstract
:1. Introduction
2. Results
2.1. Chemical Composition of Potentilla Tormentilla Extract
2.2. Physicochemical Characterization of PEG
2.2.1. Organoleptic Characteristics and Physical Appearance
2.2.2. pH Values
2.2.3. Electrical Conductivity
2.2.4. Centrifugation Test of Prepared Formulation
2.2.5. Rheological Characterization of Prepared Formulation
2.2.6. Swelling Index of Prepared Formulation
2.3. Acute Dermal Irritation Test
2.4. Anti-Inflammatory Activity of PEG in Rat Model
2.5. Molecular Docking Simulations
2.6. Molecular Dynamics Simulations and MM/GBSA Computation
3. Discussion
4. Materials and Methods
4.1. Plant Materials and Extract Preparation
4.2. Chemical Characterization of Potentilla Tormentilla Extract
4.2.1. Preliminary Chemical Characterization–Total Phenolics and Tannins
4.2.2. HPLC Analysis of Potentilla tormentilla Ethanolic Extract
4.3. Formulation of Potentilla tormentilla Extract-Based Gel
4.4. Assessment of Stability of PEG Formulation
4.4.1. Determination of the pH Values
4.4.2. Determination of the Electrical Conductivity
4.4.3. Centrifugation Test
4.4.4. Rheological Characterization
4.4.5. Swelling Index
4.5. In Vivo Experiments
4.5.1. Ethical Statement
4.5.2. Animals
4.5.3. Acute Dermal Irritation of PEG
- BG—animals treated with the gel base;
- PEG—animals treated with 5% Potentilla extract-based gel.
4.5.4. Anti-Inflammatory Effects of PEG
- CTRL group—untreated rats;
- HC—rats treated with hydrocortisone ointment 1%;
- BG group—rats treated with gel base;
- PEG group—rats treated with 5% Potentilla extract-based gel.
4.6. Statistical Analyses
4.7. In Silico Analyses
4.7.1. Molecular Docking Studies
4.7.2. Molecular Dynamics Studies
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
- Michalak, M. Plant Extracts as Skin Care and Therapeutic Agents. Int. J. Mol. Sci. 2023, 24, 15444. [Google Scholar] [CrossRef]
- Petkovic, A.; Jakovljevic, V.; Tomovic, M.; Jeremic, J.; Ristic, G.; Bradic, J. Improving Oxidative Stability of Cosmetic Emulsions with Plant Extracts: Current Status and Potential. J. Cosmet. Sci. 2021, 72, 189–199. [Google Scholar] [PubMed]
- Tomczyk, M.; Latté, K.P. Potentilla—A review of its phytochemical and pharmacological profile. J. Ethnopharmacol. 2009, 122, 184–204. [Google Scholar] [CrossRef] [PubMed]
- Kaltalioglu, K.; Balabanli, B.; Coskun-Cevher, S. Phenolic, Antioxidant, Antimicrobial, and In-vivo Wound Healing Properties of Potentilla erecta L. Root Extract in Diabetic Rats. Iran J. Pharm. Res. 2020, 19, 264–274. [Google Scholar] [CrossRef]
- Augustynowicz, D.; Latté, K.P.; Tomczyk, M. Recent phytochemical and pharmacological advances in the genus Potentilla L. sensu lato—An update covering the period from 2009 to 2020. J. Ethnopharmacol. 2021, 266, 113412. [Google Scholar] [CrossRef] [PubMed]
- Hoffmann, J.; Casetti, F.; Bullerkotte, U.; Haarhaus, B.; Vagedes, J.; Schempp, C.; Wölfle, U. Antiınflammatory effects of agrimoniin-enriched fractions of Potentilla erecta. Molecules 2016, 21, 792. [Google Scholar] [CrossRef] [PubMed]
- Tampa, M.; Neagu, M.; Caruntu, C.; Constantin, C.; Georgescu, S.R. Skin Inflammation—A Cornerstone in Dermatological Conditions. J. Pers. Med. 2022, 12, 1370. [Google Scholar] [CrossRef]
- Wölfle, U.; Hoffmann, J.; Haarhaus, B.; Rao Mittapalli, V.; Schempp, C.M. Anti-inflammatory and vasoconstrictive properties of Potentilla erecta—A traditional medicinal plant from the northern hemisphere. J. Ethnopharmacol. 2017, 204, 86–94. [Google Scholar] [CrossRef]
- Melzig, M.F.; Böttger, S. Tormentillae rhizome—Review for an Underestimated European Herbal Drug. Planta Med. 2020, 86, 1050–1057. [Google Scholar] [CrossRef]
- Lukić, M.; Pantelić, I.; Savić, S.D. Towards Optimal pH of the Skin and Topical Formulations: From the Current State of the Art to Tailored Products. Cosmetics 2021, 8, 69. [Google Scholar] [CrossRef]
- Marzouk, M.A.; Osman, D.A.; Abd El-Fattah, A.I. Formulation and in vitro evaluation of a thermoreversible mucoadhesive nasal gel of itopride hydrochloride. Drug Dev. Ind. Pharm. 2018, 44, 1857–1867. [Google Scholar] [CrossRef]
- Chen, Y.; Lee, J.H.; Meng, M.; Cui, N.; Dai, C.Y.; Jia, Q.; Lee, E.S.; Jiang, H.B. An Overview on Thermosensitive Oral Gel Based on Poloxamer 407. Materials 2021, 14, 4522. [Google Scholar] [CrossRef] [PubMed]
- Brambilla, E.; Locarno, S.; Gallo, S.; Orsini, F.; Pini, C.; Farronato, M.; Thomaz, D.V.; Lenardi, C.; Piazzoni, M.; Tartaglia, G. Poloxamer-Based Hydrogel as Drug Delivery System: How Polymeric Excipients Influence the Chemical-Physical Properties. Polymers 2022, 14, 3624. [Google Scholar] [CrossRef]
- Slavkova, M.; Tzankov, B.; Popova, T.; Voycheva, C. Gel Formulations for Topical Treatment of Skin Cancer: A Review. Gels 2023, 9, 352. [Google Scholar] [CrossRef]
- Borghi-Pangoni, F.B.; Junqueira, M.V.; Ferreira, S.B.d.S.; Silva, L.L.; Rabello, B.R.; de Castro, L.V.; Baesso, M.L.; Diniz, A.; Caetano, W.; Bruschi, M.L. Preparation and Characterization of Bioadhesive System Containing Hypericin for Local Photodynamic Therapy. Photodiagnosis Photodyn. Ther. 2017, 19, 284–297. [Google Scholar] [CrossRef]
- Xavier-Santos, J.B.; Passos, J.G.R.; Gomes, J.A.S.; Cruz, J.V.C.; Alves, J.S.F.; Garcia, V.B.; da Silva, R.M.; Lopes, N.P.; Araujo-Junior, R.F.; Zucolotto, S.M.; et al. Topical gel containing phenolic-rich extract from Ipomoea pes-capre leaf (Convolvulaceae) has anti-inflammatory, wound healing, and antiophidic properties. Biomed. Pharmacother. 2022, 149, 112921. [Google Scholar] [CrossRef] [PubMed]
- Choi, E.H.; Kang, H. Importance of Stratum Corneum Acidification to Restore Skin Barrier Function in Eczematous Diseases. Ann. Dermatol. 2024, 36, 1–8. [Google Scholar] [CrossRef] [PubMed]
- Tarun, J.; Susan, J.; Suria, J.; Susan, V.J.; Criton, S. Evaluation of pH of Bathing Soaps and Shampoos for Skin and Hair Care. Indian J. Dermatol. 2014, 59, 442–444. [Google Scholar] [CrossRef]
- Kulawik-Pióro, A.; Miastkowska, M. Polymeric Gels and Their Application in the Treatment of Psoriasis Vulgaris: A Review. Int. J. Mol. Sci. 2021, 22, 5124. [Google Scholar] [CrossRef]
- Fakhari, A.; Corcoran, M.; Schwarz, A. Thermogelling properties of purified poloxamer 407. Heliyon 2017, 3, e00390. [Google Scholar] [CrossRef]
- Agarwala, S. Electrically Conducting Hydrogels for Health care: Concept, Fabrication Methods, and Applications. Int. J. Bioprinting 2020, 6, 273. [Google Scholar] [CrossRef] [PubMed]
- García-Villegas, A.; Fernández-Ochoa, Á.; Rojas-García, A.; Alañón, M.E.; Arráez-Román, D.; Cádiz-Gurrea, M.L.; Segura-Carretero, A. The Potential of Mangifera indica L. Peel Extract to Be Revalued in Cosmetic Applications. Antioxidants 2023, 12, 1892. [Google Scholar] [CrossRef] [PubMed]
- Ferreira, L.M.; Sari, M.H.M.; Azambuja, J.H.; da Silveira, E.F.; Cervi, V.F.; Marchiori, M.C.L.; Maria-Engler, S.S.; Wink, M.R.; Azevedo, J.G.; Nogueira, C.W.; et al. Xanthan Gum-Based Hydrogel Containing Nanocapsules for Cutaneous Diphenyl Diselenide Delivery in Melanoma Therapy. Investig. New Drugs. 2020, 38, 662–674. [Google Scholar] [CrossRef]
- Jones, D.S.; Bruschi, M.L.; de Freitas, O.; Gremião, M.P.; Lara, E.H.; Andrews, G.P. Rheological, mechanical and mucoadhesive properties of thermoresponsive, bioadhesive binary mixtures composed of poloxamer 407 and carbopol 974P designed as platforms for implantable drug delivery systems for use in the oral cavity. Int. J. Pharm. 2009, 372, 49–58. [Google Scholar] [CrossRef]
- Yu, Y.; Feng, R.; Yu, S.; Li, J.; Wang, Y.; Song, Y.; Yang, X.; Pan, W.; Li, S. Nanostructured lipid carrier-based pH and temperature dual-responsive hydrogel composed of carboxymethyl chitosan and poloxamer for drug delivery. Int. J. Biol. Macromol. 2018, 114, 462–469. [Google Scholar] [CrossRef] [PubMed]
- Thang, N.H.; Chien, T.B.; Cuong, D.X. Polymer-Based Hydrogels Applied in Drug Delivery: An Overview. Gels 2023, 9, 523. [Google Scholar] [CrossRef]
- Lulekal, E.; Tesfaye, S.; Gebrechristos, S.; Dires, K.; Zenebe, T.; Zegeye, N.; Feleke, G.; Kassahun, A.; Shiferaw, Y.; Mekonnen, A. Phytochemical analysis and evaluation of skin irritation, acute and sub-acute toxicity of Cymbopogon citratus essential oil in mice and rabbits. Toxicol. Rep. 2019, 6, 1289–1294. [Google Scholar] [CrossRef]
- Ankomah, A.D.; Boakye, Y.D.; Agana, T.A.; Boamah, V.E.; Ossei, P.P.S.; Adu, F.; Agyare, C. Evaluation of Dermal Toxicity and Wound Healing Activity of Cnestis ferruginea Vahl ex DC. Adv. Pharmacol. Pharm. Sci. 2022, 2022, 5268613. [Google Scholar] [CrossRef]
- Hoffmann, J.; Wölfle, U.; Schempp, C.M.; Casetti, F. Tannins from Potentilla officinalis display antiinflammatory effects in the UV erythema test and on atopic skin. J. Dtsch. Dermatol. Ges. 2016, 14, 917–922. [Google Scholar] [CrossRef]
- Korhonen, M.; Hellen, L.; Hirvonen, J.; Yliruusi, J. Determination of optimal combination of surfactants in creams using rheology measurements. Int. J. Pharm. 2005, 197, 143–151. [Google Scholar] [CrossRef]
- Calvo, M.I. Anti-inflammatory and analgesic activity of the topical preparation of Verbena officinalis L. J. Ethnopharmacol. 2006, 107, 380–382. [Google Scholar] [CrossRef]
- Liu, S.; Wang, K.; Lin, S.; Zhang, Z.; Cheng, M.; Hu, S.; Hu, H.; Xiang, J.; Chen, F.; Li, G.; et al. Comparison of the Effects between Tannins Extracted from Different Natural Plants on Growth Performance, Antioxidant Capacity, Immunity, and Intestinal Flora of Broiler Chickens. Antioxidants 2023, 12, 441. [Google Scholar] [CrossRef]
- Piazza, S.; Fumagalli, M.; Martinelli, G.; Pozzoli, C.; Maranta, N.; Angarano, M.; Sangiovanni, E.; Dell’Agli, M. Hydrolyzable Tannins in the Management of Th1, Th2 and Th17 Inflammatory-Related Diseases. Molecules 2022, 27, 7593. [Google Scholar] [CrossRef]
- Ríos, J.L.; Giner, R.M.; Marín, M.; Recio, M.C. A Pharmacological Update of Ellagic Acid. Planta Med. 2018, 84, 1068–1093. [Google Scholar] [CrossRef] [PubMed]
- Bae, J.Y.; Choi, J.S.; Kang, S.W.; Lee, Y.J.; Park, J.; Kang, Y.H. Dietary compound ellagic acid alleviates skin wrinkle and inflammation induced by UV-B irradiation. Exp Dermatol. 2010, 19, e182–e190. [Google Scholar] [CrossRef]
- El-Shitany, N.A.; El-Bastawissy, E.A.; El-desoky, K. Ellagic acid protects against carrageenan-induced acute inflammation through inhibition of nuclear factor kappa B, inducible cyclooxygenase and proinflammatory cytokines and enhancement of interleukin-10 via an antioxidant mechanism. Int. Immunopharmacol. 2014, 19, 290–299. [Google Scholar] [CrossRef]
- Faki, Y.; Er, A. Different Chemical Structures and Physiological/Pathological Roles of Cyclooxygenases. Rambam Maimonides Med. J. 2021, 12, e0003. [Google Scholar] [CrossRef]
- Vyshnevska, L.; Severina, H.I.; Prokopenko, Y.; Shmalko, A. Molecular docking investigation of anti-inflammatory herbal compounds as potential LOX-5 and COX-2 inhibitors. Pharmacia 2022, 69, 733–744. [Google Scholar] [CrossRef]
- Katanić Stanković, J.S.; Đorović Jovanović, J.; Mišić, D.; Gašić, U.; Nikles, S.; Marković, Z.; Bauer, R. UHPLC-MS Phytochemical Profiling and Insight into Bioactivity of Rabelera holostea (Greater Stitchwort) Extract. Molecules 2023, 28, 1274. [Google Scholar] [CrossRef] [PubMed]
- Velioglu, Y.S.; Mazza, G.; Gao, L.; Oomah, B.D. Antioxidant activity and total phenolics inselectedfruits, vegetables, and grain products. J. Agricul. Food Chem. 1998, 46, 4113–4117. [Google Scholar] [CrossRef]
- European Pharmacopoeia, 10.0 ed.; Council of Europe: Strasbourg, France, 2023.
- Draginic, N.; Andjic, M.; Jeremic, J.; Zivkovic, V.; Kocovic, A.; Tomovic, M.; Bozin, B.; Kladar, N.; Bolevich, S.; Jakovljevic, V.; et al. Anti-inflammatory and Antioxidant Effects of Melissa officinalis Extracts: A Comparative Study. Iran J. Pharm. Res. 2022, 21, e126561. [Google Scholar] [CrossRef]
- Žugić, A.; Đorđević, S.; Arsić, I.; Marković, G.; Živković, J.; Jovanović, S.; Tadić, V. Antioxidant activity and phenolic compounds in 10 selected herbs from Vrujci Spa, Serbia. Ind Crops Prod. 2014, 52, 519–527. [Google Scholar] [CrossRef]
- Plyduang, T.; Sermkeaw, N. Development and Evaluation of a Hydrogel containing Momordica cochinchinensis Spreng Extract for Topical Applications. Braz. J. Pharm. Sci. 2022, 58, e20130. [Google Scholar] [CrossRef]
- Diaz-Salmeron, R.; Toussaint, B.; Huang, N.; Bourgeois Ducournau, E.; Alviset, G.; Goulay Dufaÿ, S.; Hillaireau, H.; Dufaÿ Wojcicki, A.; Boudy, V. Mucoadhesive Poloxamer-Based Hydrogels for the Release of HP-β-CD-Complexed Dexamethasone in the Treatment of Buccal Diseases. Pharmaceutics 2021, 13, 117. [Google Scholar] [CrossRef]
- Dantas, M.G.; Reis, S.A.; Damasceno, C.M.; Rolim, L.A.; Rolim-Neto, P.J.; Carvalho, F.O.; Quintans-Junior, L.J.; Almeida, J.R. Development and Evaluation of Stability of a Gel Formulation Containing the Monoterpene Borneol. Sci. World J. 2016, 2016, 7394685. [Google Scholar] [CrossRef] [PubMed]
- Kaur, M.; Kaur, G.; Kaur, H.; Sharma, S. Overview on Stability Studies. Int. J. Pharm. Chem. Biol. Sci. 2013, 3, 1231. [Google Scholar]
- Elyashevich, G.; Rosova, E.; Zoolshoev, Z.; Saprykina, N.; Kuryndin, I. Reversibility of Swelling, pH Sensitivity, Electroconductivity, and Mechanical Properties of Composites Based on Polyacrylic Acid Hydrogels and Conducting Polymers. J. Compos. Sci. 2023, 7, 261. [Google Scholar] [CrossRef]
- El-Kased, R.F.; Amer, R.I.; Attia, D.; Elmazar, M.M. Honey-based hydrogel: In vitro and comparative In vivo evaluation for burn wound healing. Sci. Rep. 2017, 7, 9692. [Google Scholar] [CrossRef]
- Andjić, M.; Draginić, N.; Kočović, A.; Jeremić, J.; Vučićević, K.; Jeremić, N.; Krstonošić, V.; Božin, B.; Kladar, N.; Čapo, I.; et al. Immortelle essential oil-based ointment improves wound healing in a diabetic rat model. Biomed. Pharmacother. 2022, 150, 112941. [Google Scholar] [CrossRef]
- Nikolic, M.; Andjic, M.; Bradic, J.; Kocovic, A.; Tomovic, M.; Samanovic, A.M.; Jakovljevic, V.; Veselinovic, M.; Capo, I.; Krstonosic, V.; et al. Topical Application of Siberian Pine Essential Oil Formulations Enhance Diabetic Wound Healing. Pharmaceutics 2023, 15, 2437. [Google Scholar] [CrossRef]
- Draize, J. Appraisal of the Safety of Chemicals in Foods, Drugs and Cosmetics; The Associate of Food and Drug Officials of the United States: Austin, TX, USA, 1959; pp. 49–51. [Google Scholar]
- Nedeljković, N.; Nikolić, M.; Čanović, P.; Zarić, M.; Živković Zarić, R.; Bošković, J.; Vesović, M.; Bradić, J.; Anđić, M.; Kočović, A.; et al. Synthesis, Characterization, and Investigation of Anti-Inflammatory and Cytotoxic Activities of Novel Thiourea Derivatives of Naproxen. Pharmaceutics 2023, 16, 1. [Google Scholar] [CrossRef] [PubMed]
- Trott, O.; Olson, A.J. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 2010, 31, 455–461. [Google Scholar] [CrossRef]
- ChemOffice Ultra 7.0.1, 2002, CambridgeSoft Corporation. Available online: http://www.cambridgesoft.com (accessed on 12 February 2024).
- Selinsky, B.S.; Gupta, K.; Sharkey, C.T.; Loll, P.J. Structural analysis of NSAID binding by prostaglandin H2 synthase: Time-dependent and time-independent inhibitors elicit identical enzyme conformations. Biochemistry 2001, 40, 5172–5180. [Google Scholar] [CrossRef]
- Kurumbail, R.G.; Stevens, A.M.; Gierse, J.K.; McDonald, J.J.; Stegeman, R.A.; Pak, J.Y.; Gildehaus, D.; Miyashiro, J.M.; Penning, T.D.; Seibert, K.; et al. Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents. Nature 1996, 384, 644–648. [Google Scholar] [CrossRef] [PubMed]
- BIOVIA; Dassault Systèmes. Discovery Studio Visualizer, v21.1.0.20298; Dassault Systèmes: San Diego, CA, USA, 2021; Available online: https://discover.3ds.com/discovery-studio-visualizer-download (accessed on 21 December 2023).
- Morris, G.M.; Ruth, H.; Lindstrom, W.; Sanner, M.F.; Belew, R.K.; Goodsell, D.S.; Olson, A.J. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem. 2009, 30, 2785–2791. [Google Scholar] [CrossRef] [PubMed]
- Schrödinger, L.; DeLano, W. PyMOL. Available online: https://www.pymol.org/pymol (accessed on 8 March 2024).
- Schrödinger Release 2020-4: Desmond Molecular Dynamics System. D.E. Shaw Research: New York, NY, USA, 2020.
- Harder, E.; Damm, W.; Maple, J.; Wu, C.; Reboul, M.; Xiang, J.Y.; Wang, L.; Lupyan, D.; Dahlgren, M.K.; Knight, J.L.; et al. OPLS3: A force field providing broad coverage of drug-like small molecules and proteins. J. Chem. Theory Comput. 2016, 12, 281–296. [Google Scholar] [CrossRef]
- Jorgensen, W.L.; Chandrasekhar, J.; Madura, J.D.; Impey, R.W.; Klein, M.L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 1983, 79, 926–935. [Google Scholar] [CrossRef]
Compound | Concentration (mg/g d.w. Extract) |
---|---|
ellagic acid | 14.99 ± 1.2 |
epicatechin | 7.8 ± 0.3 |
ellagic acid derivatives | 23.25 ± 1.11 |
chlorogenic acid | 0.152 ± 0.0042 |
gallic acid | 0.34 ± 0.0031 |
rutin | 0.0015 ± 0.00001 |
Parameters | 25 °C ± 2 °C | 4 °C ± 2 °C | ||
---|---|---|---|---|
1 Day | 90 Days | 1 Day | 90 Days | |
Colour | Light brown | Light brown | Brownish | Brownish |
Odour | Characteristic odor of the extract | Characteristic odor of the extract | Characteristic odor of the extract | Characteristic odor of the extract |
Consistency | Semi-solid | Semi-solid | Semi-solid | Semi-solid |
Homogenity | No phase separation | No phase separation | No phase separation | No phase separation |
25 °C ± 2 °C | 4 °C ± 2 °C | ||
---|---|---|---|
pH | Day 1 | 5.81 ± 0.14 | 5.81 ± 0.14 |
90 days | 5.96 ± 0.16 | 5.92 ± 0.19 |
25 °C ± 2 °C | 4 °C ± 2 °C | ||
---|---|---|---|
Electrical conductivity | Day 1 | 52.8 ± 0.56 µS/cm | 52.8 ± 0.56 µS/cm |
90 days | 43.5 ± 0.59 µS/cm | 65.9 ± 0.63 µS/cm * # |
Viscosity of PEG (Pa × s) | |||
---|---|---|---|
Shear Rate (1/s) | 24 h after Preparation | 90 Days after Storage at 25 °C | 90 Days after Storage at 4 °C |
0.101 | 7239.6 | 5429.7 | 4886.73 |
10 | 153.14 | 104.14 | 88.51 |
100 | 20.40 | 12.85 | 10.54 |
1000 | 2.66 | 1.59 | 1.28 |
Viscosity of PEG (Pa × s) | |||
---|---|---|---|
Shear Rate (1/s) | 24 h after Preparation | 90 Days after Storage at 25 °C | 90 Days after Storage at 4 °C |
0.101 | 7902.4 | 5926.8 | 5334.12 |
10 | 147.87 | 100.55 | 85.46 |
100 | 12.54 | 7.90 | 6.47 |
1000 | 1.61 | 0.967 | 0.77 |
1st Day | 90 Days | |||||
---|---|---|---|---|---|---|
Samples/Hours | 0 | 1 | 3 | 0 | 1 | 3 |
PGE | 85 ± 0.15 | 91 ± 0.12 | 128 ± 0.10 | |||
PGE 4 ± 2 °C | 84 ± 0.15 | 80 ± 0.12 | 75 ± 0.15 | |||
PGE 25 ± 2 °C | 82 ± 0.22 | 97 ± 0.14 | 115 ± 0.18 |
Rat Paw Thickness (mm) (% of Inhibition) | |||||
---|---|---|---|---|---|
Groups | 0 h | 1 h | 2 h | 3 h | 4 h |
CTRL | 2.52 ± 0.47 | 4.36 ± 0.41 | 6.78 ± 0.52 | 6.17 ± 0.39 | 6.03 ± 0.48 |
HC | 2.73 ± 0.43 | 3.69 ± 0.31 (15.36) | 4.21 ± 0.42 (37.90) * | 3.98 ± 0.36 (35.49%) * | 3.18 ± 0.47 (47.26%) * |
BG | 3.34 ± 0.35 | 4.18 ± 0.47 (4.12%) | 6.27 ± 0.42 (7.52%) | 5.99 ± 0.38 (2.91%) | 5.67 ± 0.33 (5.97%) |
PEG | 2.77 ± 0.38 | 3.62 ± 0.36 (16.97%) | 5.43 ± 0.42 (19.91%) * | 4.47 ± 0.52 (27.53%) * | 3.64 ± 0.47 (39.62%) * |
Complex | ΔG (kJ/mol) | Ki (µM) | LE * (kJ/mol) |
---|---|---|---|
Flurbiprofen-COX-1 | −40.58 | 0.076 | −2.25 |
Chlorogenic acid-COX-1 | −28.45 | 10.20 | −1.14 |
Gallic acid-COX-1 | −25.52 | 33.30 | −2.13 |
Rutin-COX-1 | −10.88 | 12,300 | −0.25 |
Ellagic acid-COX-1 | −26.36 | 23.8 | −1.20 |
Flurbiprofen-COX-2 | −38.07 | 0.209 | −2.11 |
Chlorogenic acid-COX-2 | −34.72 | 0.808 | −1.39 |
Gallic acid-COX-2 | −25.94 | 28.09 | −2.16 |
Rutin-COX-2 | −27.61 | 14.30 | −0.64 |
Ellagic acid-COX-2 | −34.22 | 0.997 | −1.55 |
Protein | Ligand | MM/GBSA ΔGavg ± SD * (kJ/mol) |
---|---|---|
COX-1 | Flurbiprofen | −259.86 ± 10.21 |
Chlorogenic acid | −241.55 ± 21.07 | |
Ellagic acid | −235.88 ± 26.53 | |
COX-2 | Flurbiprofen | −183.74 ± 11.72 |
Chlorogenic acid | −212.32 ± 19.43 | |
Ellagic acid | −263.96 ± 12.09 |
Formulation | Components | Quantity (g) |
---|---|---|
PEG | P. tormentilla extract | 5 |
Poloxamer 407 | 19 | |
Carbomer 940 | 0.14 | |
Propylene glycol | 9.5 | |
Triethanolamine | q.s. | |
Purified water | ad 100 |
Score | Translation |
---|---|
0 | No erythema or edema |
1 | Very inappreciable edema or erythema |
2 | Small edema with raised skin at the edges of the area |
3 | Moderate to severe erythema or edema |
4 | Severe erythema or edema |
Disclaimer/Publisher’s Note: The statements, opinions and data contained in all publications are solely those of the individual author(s) and contributor(s) and not of MDPI and/or the editor(s). MDPI and/or the editor(s) disclaim responsibility for any injury to people or property resulting from any ideas, methods, instructions or products referred to in the content. |
© 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Share and Cite
Bradic, J.; Petrovic, A.; Nikolic, M.; Nedeljkovic, N.; Andjic, M.; Baljak, J.; Jakovljevic, V.; Kocovic, A.; Tadic, V.; Stojanovic, A.; et al. Potentilla tormentilla Extract Loaded Gel: Formulation, In Vivo and In Silico Evaluation of Anti-Inflammatory Properties. Int. J. Mol. Sci. 2024, 25, 9389. https://doi.org/10.3390/ijms25179389
Bradic J, Petrovic A, Nikolic M, Nedeljkovic N, Andjic M, Baljak J, Jakovljevic V, Kocovic A, Tadic V, Stojanovic A, et al. Potentilla tormentilla Extract Loaded Gel: Formulation, In Vivo and In Silico Evaluation of Anti-Inflammatory Properties. International Journal of Molecular Sciences. 2024; 25(17):9389. https://doi.org/10.3390/ijms25179389
Chicago/Turabian StyleBradic, Jovana, Anica Petrovic, Milos Nikolic, Nikola Nedeljkovic, Marijana Andjic, Jovan Baljak, Vladimir Jakovljevic, Aleksandar Kocovic, Vanja Tadic, Aleksandra Stojanovic, and et al. 2024. "Potentilla tormentilla Extract Loaded Gel: Formulation, In Vivo and In Silico Evaluation of Anti-Inflammatory Properties" International Journal of Molecular Sciences 25, no. 17: 9389. https://doi.org/10.3390/ijms25179389