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Fulltext Genus ruellia: pharmacological and phytochemical importance in ethnopharmacology

Afzal K, Uzair M, Chaudhary BA, Ahmad A, Afzal S, Saadullah M

Acta Pol Pharm, 2015 Sep-Oct;72(5):821-7.
PMID: 26665388

Ruellia is a genus of flowering plants commonly known as Ruellias or Wild Petunias which belongs to the family Acanthaceae. It contains about 250 genera and 2500 species. Most of these are shrubs, or twining vines; some are epiphytes. Only a few species are distributed in temperate regions. They are distributed in Indonesia and Malaysia, Africa, Brazil, Central America and Pakistan. Some of these are used as medicinal plants. Many species of the genus has antinociceptive, antioxidant, analgesic, antispasmolytic, antiulcer, antidiabetic and anti-inflammatory properties. The phytochemicals constituents: glycosides, alkaloids, flavonoids and triterpenoids are present. The genus has been traditionally claimed to be used for the treatment of flu, asthma, fever, bronchitis, high blood pressure, eczema, and diabetes. The objective of this review article is to summarize all the pharmacological and phytochemical evaluations or investigations to find area of gap and endorse this genus a step towards commercial drug. Hence, further work required is to isolate and characterize the active compounds responsible for these activities in this plant and bring this genus plants to commercial health market to serve community with their potential benefits.
Fulltext Carvacrol derivatives as mushroom tyrosinase inhibitors; synthesis, kinetics mechanism and molecular docking studies

Ashraf Z, Rafiq M, Nadeem H, Hassan M, Afzal S, Waseem M, et al.

PLoS One, 2017;12(5):e0178069.
PMID: 28542395 DOI: 10.1371/journal.pone.0178069

The present work describesthe development of highly potent mushroom tyrosinase inhibitor better than the standard kojic acid. Carvacrol derivatives 4a-f and 6a-d having substituted benzoic acid and cinnamic acidresidues were synthesized with the aim to possess potent tyrosinase inhibitory activity.The structures of the synthesized compounds were ascertained by their spectroscopic data (FTIR, 1HNMR, 13CNMR and Mass Spectroscopy).Mushroom tyrosinase inhibitory activity of synthesized compounds was determined and it was found that one of the derivative 6c possess higher activity (IC50 0.0167μM) than standard kojic acid (IC50 16.69μM). The derivatives 4c and 6b also showed good tyrosinase inhibitory activity with (IC50 16.69μM) and (IC50 16.69μM) respectively.Lineweaver-Burk and Dixon plots were used for the determination of kinetic mechanism of the compounds 4c and 6b and 6c. The kinetic analysis revealed that compounds 4c and 6b showed mixed-type inhibition while 6c is a non-competitive inhibitor having Ki values19 μM, 10 μM, and 0.05 μMrespectively. The enzyme inhibitory kinetics further showed thatcompounds 6b and 6c formed irreversible enzyme inhibitor complex while 4c bind reversibly with mushroom tyrosinase.The docking studies showed that compound 6c have maximum binding affinity against mushroom tyrosinase (PDBID: 2Y9X) with binding energy value (-7.90 kcal/mol) as compared to others.The 2-hydroxy group in compound 6c interacts with amino acid HIS85 which is present in active binding site. The wet lab results are in good agreement with the dry lab findings.Based upon our investigation we may propose that the compound 6c is promising candidate for the development of safe cosmetic agent.
Immunomodulatory, Cytotoxicity, and Antioxidant Activities of Roots of Ziziphus mauritiana

Afzal S, Batool M, Ch BA, Ahmad A, Uzair M, Afzal K

Pharmacogn Mag, 2017 Jul;13(Suppl 2):S262-S265.
PMID: 28808390 DOI: 10.4103/pm.pm_398_16

AIMS: The study is conducted to evaluate the immunomodulatory, cytotoxicity, and antioxidant potential of Ziziphus mauritiana (Rhamnaceae). Phytochemical analysis of Z. mauritiana revealed the presence of alkaloids, anthraquinone glycoside, cardiac glycoside, saponin, tannin, and flavonoids.
METHODOLOGY: The cytotoxicity of the plant Z. mauritiana was evaluated by brine shrimp lethality test. Antioxidant parameters such as superoxide dismutase (SOD), total antioxidant capacity (T-AOC), and malondialdehyde (MDA) levels were calculated in the plasma of rats after chronic administration of 400 mg/kg of Z. mauritiana for 6 weeks.
RESULTS: The dichloromethane extract of the plant exhibited significant immunomodulatory activity, with inhibitory concentration 50% of 55.43 ± 7.9. The dichloromethane extracts of the plant showed 70% mortality at concentration 1000 μg/ml. SOD and T-AOC levels were increased while MDA level in the plasma was reduced in the plasma of rats treated with dichloromethane Z. mauritiana.
CONCLUSION: This can be deduced that the root of Z. mauritiana has immunomodulatory, cytotoxic, and antioxidant potential.
SUMMARY: Roots of Z. mauritiana was exhibited immunomodulator, cytotoxic and antioxidant activitiesZ. mauritiana showed potential antioxidant activity in rats Abbreviations used: SOD: Superoxide dismutase; T-AOC: Total antioxidant capacity; MDA: Malondialdehyde; ZMRD: Z. mauritiana root extract of dichloromethane fraction; LD50: Z. mauritiana root extract of methanol fraction ZMRM, lethal dose 50.
Fulltext Dexibuprofen amide derivatives as potential anticancer agents: synthesis, in silico docking, bioevaluation, and molecular dynamic simulation

Ashraf Z, Mahmood T, Hassan M, Afzal S, Rafique H, Afzal K, et al.

Drug Des Devel Ther, 2019;13:1643-1657.
PMID: 31190743 DOI: 10.2147/DDDT.S178595

BACKGROUND: The amide derivatives of nonsteroidal anti-inflammatory drugs have been reported to possess antitumor activity. The present work describes the synthesis of dexibuprofen amide analogues (4a-j) as potential anticancer agents.
METHODS: The title amides (4a-j) were obtained by simple nucleophilic substitution reaction of dexibuprofen acid chloride with substituted amines in good yield and chemical structures were confirmed by FTIR, 1H NMR, 13C NMR and mass spectral data.
RESULTS: The brine shrimp lethality assay results showed that all of the synthesized compounds are non-toxic to shrimp larvae. The inhibitory effects on tumor growth were evaluated and it was observed that N-(2,5-dichlorophenyl)-2-(4-isobutylphenyl) propionamide (4e) and N-(2-chlorophenyl)-2-(4-isobutylphenyl) propionamide (4g) exhibited excellent antitumor activity compared to all other derivatives. The compound 4e bearing 2,5-dichloro substituted phenyl ring and 4g possesses 2-chloro substituted phenyl ring exhibited 100% inhibition of the tumor growth. The anticancer activity was evaluated against breast carcinoma cell line (MCF-7) and it was observed that derivative 4e exhibited excellent growth inhibition of cancer cells with IC50 value of 0.01±0.002 µm, which is better than the standard drugs. The docking studies against breast cancer type 1 susceptibility protein BRCA1 (PDBID 3K0H) exhibited good binding affinities, which are in good agreement with the wet lab results. The compounds 4e and 4g showed the binding energy values of -6.39 and -6.34 Kcal/mol, respectively. The molecular dynamic (MD) simulation was also carried out to evaluate the residual flexibility of the best docking complexes of compounds 4e and 4g. The MD simulation analysis assured that the 4e formed a more stable complex with the target protein than the 4g. The synthesized amide derivatives exhibited were devoid of gastrointestinal side effects and no cytotoxic effects against human normal epithelial breast cell line (MCF-12A) were found.
CONCLUSION: Based upon our wet lab and dry lab findings we propose that dexibuprofen analogue 4e may serve as a lead structure for the design of more potent anticancer drugs.