MyMedR

Fulltext 2-[(3,5-Di-tert-butyl-4-hydroxy-benz-yl)-sulfan-yl]-N'-isopropyl-ideneaceto-hydrazide

Yehye WA, Ariffin A, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2009;65(Pt 4):o730.

PMID: 21582464 DOI: 10.1107/S1600536809007843

The title compound, C(20)H(32)N(2)O(2)S, the condensation product of a thio-acetohydrazine and acetone, has a two-coordinate S atom and the angle at this atom is 100.7 (1)°. The (CH(3))C=N-NH-C(O)- substituent engages in N-H⋯O hydrogen-bonding inter-actions with the substituent of an adjacent mol-ecule across a center of inversion, generating a dimeric structure.

Fulltext N'-(3,5-Di-tert-butyl-4-hydroxy-benzyl-idene)-2-hydroxy-benzohydrazide methanol solvate

Yehye WA, Ariffin A, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2008;64(Pt 8):o1452.

PMID: 21203167 DOI: 10.1107/S1600536808020746

The asymmetric unit of the title compound, C(22)H(28)N(2)O(3)·CH(4)O, consists of two independent Schiff base mol-ecules and two independent methanol solvent mol-ecules. In one Schiff base mol-ecule, the 2-hydr-oxy group forms an intra-molecular hydrogen bond with the amide O atom, whereas in the other Schiff base mol-ecule, the 2-hydr-oxy-substituted benzene ring is oriented so that the 2-hydr-oxy group serves as hydrogen-bond acceptor for the amide NH group. In the crystal structure, Schiff base mol-ecules inter-act with methanol solvent to furnish a hydrogen-bonded chain.

Fulltext (2,4-Dimethoxy-benzyl-idene)-2-hydroxy-benzohydrazide ethanol solvate

Yehye WA, Ariffin A, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2008 May 03;64(Pt 6):o961.

PMID: 21202691 DOI: 10.1107/S1600536808011768

In the planar title mol-ecule, C(16)H(16)N(2)O(4)·C(2)H(6)O, the planar Schiff base molecule is linked to the ethanol solvent mol-ecule by a hydr-oxy-amide hydrogen bond. The hydr-oxy group of the ethanol mol-ecule is a hydrogen-bond donor to the double-bonded N atom of an adjacent Sciff base, pairs of interactions taking place across a center of symmetry and giving rise to a hydrogen-bonded dimer.

Fulltext 2-Hydr-oxy-(2-methyl-1H-indol-3-ylmethyl-idene)benzohydrazide ethanol solvate

Yehye WA, Ariffin A, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2008;64(Pt 6):o960.

PMID: 21202690 DOI: 10.1107/S1600536808011756

In the title compound, C(17)H(15)N(3)O(2)·C(2)H(6)O, Schiff base molecules are linked by a hydr-oxy-amido hydrogen bond into a helical chain running along the b axis. This chain is consolidated by two other hydrogen bonds; the ethanol solvent mol-ecule is a hydrogen-bond donor to the amide group and a hydrogen-bond acceptor for the indolyl NH group of an adjacent Schiff base mol-ecule.

Fulltext PASS-predicted Vitex negundo activity: antioxidant and antiproliferative properties on human hepatoma cells--an in vitro study

Kadir FA, Kassim NM, Abdulla MA, Yehye WA

BMC Complement Altern Med, 2013;13:343.

PMID: 24305067 DOI: 10.1186/1472-6882-13-343

Hepatocellular carcinoma is a common type of tumour worldwide with a high mortality rate and with low response to current cytotoxic and chemotherapeutic drugs. The prediction of activity spectra for the substances (PASS) software, which predicted that more than 300 pharmacological effects, biological and biochemical mechanisms based on the structural formula of the substance was efficiently used in this study to reveal new multitalented actions for Vitex negundo (VN) constituents.

Fulltext 2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate

Yehye WA, Ariffin A, Rahman NA, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2010 Mar 20;66(Pt 4):o878.

PMID: 21580697 DOI: 10.1107/S1600536810009621

In the title mol-ecule, C(24)H(20)N(2)O(4), the five-membered oxadiazole ring is nearly planar (r.m.s. deviation = 0.053 Å) and the phenyl ring of the biphenyl unit attached to it forms a dihedral angle of 73.2 (1)°; the other phenyl ring is close to coplanar with the oxadiazole ring [dihedral angle = 6.2 (2)°].

Fulltext 2-Sulfanyl-idene-1,2-dihydro-pyridine-3-carbohydrazide

Mansor S, Yehye WA, Ariffin A, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2010;66(Pt 10):o2516.

PMID: 21587510 DOI: 10.1107/S160053681003521X

All non-H atoms of the title compound, C(6)H(7)N(3)OS, which exists in the thione form, lie in a common plane (r.m.s. of non-H atoms = 0.08 Å). The amino group of the -NH-NH(2) substituent forms an intra-molecular hydrogen bond to the S atom. The terminal -NH(2) group is pyramidally coordinated; it forms a weak N-H⋯O and a weak N-H⋯S hydrogen bond. Furthermore, the N atom is an acceptor for a C-H⋯N contact. The amino group of the ring is a hydrogen-bond donor to the carbonyl O atom of an adjacent mol-ecule, this inter-action giving rise to a linear chain motif running along the b axis.

Fulltext N'-[(Biphenyl-4-yl)methyl-ene]-2-[(3,5-di-tert-butyl-4-hydroxy-benz-yl)sulfan-yl]acetohydrazide

Yehye WA, Ariffin A, Rahman NA, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2010;66(Pt 4):o734.

PMID: 21580580 DOI: 10.1107/S1600536810006884

In the title compound, C(30)H(36)N(2)O(2)S, the dihedral angle between the two aromatic rings of the biphenyl residue is 31.2 (1)°. The two methyl-ene C atoms subtend an angle of 99.9 (1)° at the S atom. In the crystal, mol-ecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. The hydroxyl group is shielded by the tert-butyl residues and is therefore not involved in any hydrogen bonding.

Fulltext Dipyridinium 2,2'-dithio-dinicotinate

Yehye WA, Ariffin A, Rahman NA, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2009;65(Pt 5):o1068.

PMID: 21583884 DOI: 10.1107/S1600536809013543

The dianion of the title salt, 2C(5)H(6)N(+)·C(12)H(6)N(2)O(4)S(2) (2-), lies on a special position of 2 site symmetry that relates one thio-nicotinate part to the other, and the dihedral angle between the niotinate planes is 89.2 (2)°. The pyridinium cations are hydrogen bonded to the carboxyl-ate group by way of N-H⋯O links.

Fulltext 2-(3,5-Di-tert-butyl-4-hydroxy-benzyl-sulfan-yl)-N'-(3-methoxy-benzyl-idene)acetohydrazide

Yehye WA, Ariffin A, Rahman NA, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2009;65(Pt 9):o2112.

PMID: 21577527 DOI: 10.1107/S1600536809030645

The title compound, C(25)H(34)N(2)O(3)S, is a derivative of N'-benzyl-ideneacetohydrazide having substituents on the acetyl and benzylidenyl parts, and displays a planar C(carbon-yl)-NH-NC(anis-yl) fragment [torsion angle = 174.9 (3)°]. The -NH- unit forms an N-H⋯O hydrogen bond with the carbonyl O atom of an inversion-related mol-ecule.

Fulltext Biphenyl-4-carbaldehyde azine

Yehye WA, Ariffin A, Rahman NA, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2008;64(Pt 12):o2444.

PMID: 21581412 DOI: 10.1107/S1600536808038622

The complete mol-ecule of the title compound, C(26)H(20)N(2), is generated by crystallographic inversion symmetry. The terminal phenyl ring is twisted by 19.2 (1)° with respect to the adjacent phenyl-ene ring.

Fulltext N'-(3-Bromo-5-chloro-2-hydroxy-benzyl-idine)-2-hydroxy-benzohydrazide

Yehye WA, Ariffin A, Rahman NA, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2008;64(Pt 12):o2438.

PMID: 21581406 DOI: 10.1107/S1600536808038634

In the approximately planar title mol-ecule, C(14)H(10)BrClN(3)O(2), the dihedral angle between the aromatic ring planes is 5.79 (12)°. The conformation is stabilized by intra-molecular O-H⋯N and N-H⋯O hydrogen bonds and an inter-molecular O-H⋯O link leads to chains in the crystal propagating in [001].

Fulltext Magnetically directed antioxidant and antimicrobial agent: synthesis and surface functionalization of magnetite with quercetin

Shah ST, Yehye WA, Chowdhury ZZ, Simarani K

PeerJ, 2019;7:e7651.

PMID: 31768301 DOI: 10.7717/peerj.7651

Oxidative stress can be reduced substantially using nanoantioxidant materials by tuning its surface morphological features up to a greater extent. The physiochemical, biological and optical properties of the nanoantioxidants can be altered by controlling their size and shape. In view of that, an appropriate synthesis technique should be adopted with optimization of the process variables. Properties of magnetite nanoparticles (IONP) can be tailored to upgrade the performance of biomedicine. Present research deals with the functionalization IONP using a hydrophobic agent of quercetin (Q). The application of quercetin will control its size using both the functionalization method including in-situ and post-synthesis technique. In in-situ techniques, the functionalized magnetite nanoparticles (IONP@Q) have average particles size 6 nm which are smaller than the magnetite (IONP) without functionalization. After post functionalization technique, the average particle size of magnetite IONP@Q2 determined was 11 nm. The nanoparticles also showed high saturation magnetization of about 51-59 emu/g. Before starting the experimental lab work, Prediction Activity Spectra of Substances (PASS) software was used to have a preliminary idea about the biological activities of Q. The antioxidant activity was carried out using 2, 2-diphenyl-1-picrylhydrazyl (DPPH) assay. The antibacterial studies were carried out using well diffusion method. The results obtained were well supported by the simulated results. Furthermore, the values of the half maximal inhibitory concentration (IC50) of the DPPH antioxidant assay were decreased using the functionalized one and it exhibited a 2-3 fold decreasing tendency than the unfunctionalized IONP. This exhibited that the functionalization process can easily enhance the free radical scavenging properties of IONPs up to three times. MIC values confirms that functionalized IONP have excellent antibacterial properties against the strains used (Staphylococcus aureus, Bacillus subtilis and Escherichia coli) and fungal strains (Aspergillus niger, Candida albicans, Trichoderma sp. and Saccharomyces cerevisiae). The findings of this research showed that the synthesized nanocomposite has combinatorial properties (magnetic, antioxidant and antimicrobial) which can be considered as a promising candidate for biomedical applications. It can be successfully used for the development of biomedicines which can be subsequently applied as antioxidant, anti-inflammatory, antimicrobial and anticancer agents.

Fulltext Effect of oral administration of ethanolic extract of Vitex negundo on thioacetamide-induced nephrotoxicity in rats

Kadir FA, Kassim NM, Abdulla MA, Yehye WA

BMC Complement Altern Med, 2013 Oct 30;13:294.

PMID: 24499255 DOI: 10.1186/1472-6882-13-294

BACKGROUND: Oxidative stress due to abnormal induction of reactive oxygen species (ROS) molecules is believed to be involved in the etiology of many diseases. Evidences suggest that ROS is involved in nephrotoxicity through frequent exposure to industrial toxic agents such as thioacetamide (TAA). The current investigation was designed to explore the possible protective effects of the leaves of Vitex negundo(VN) extract against TAA-induced nephrotoxicity in rats.

METHODS: Twenty four Sprague Dawleyrats were divided into four groups: (A) Normal control, (B) TAA (0.03% w/v in drinking water), (C) VN100 (VN 100 mg/kg + TAA) and (D) VN300 (VN 300 mg/kg + TAA). Blood urea and serum creatinine levels were measured,supraoxide dismutase (SOD), catalase (CAT) and malondialdehyde (MDA) levels of renal tissue were assayed. Histopathological analysis together with the oxidative stress nicotinamide adenine dinucleotide phosphate (NADPH) oxidase p22phox in kidney sections were examined in all experimental groups.

RESULTS: Blood urea and serum creatinine levels were increased in TAA group as a result of the nephrotoxicity compared to the VN100 and VN300 groups where, the levels were significantly decreased (p

Fulltext N-Acetyl-2-hydroxy-N'-[methoxy(1-methylindol-2-yl)methyl]benzohydrazide

Yehye WA, Rahman NA, Ariffin A, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2008 Aug 23;64(Pt 9):o1824.

PMID: 21201799 DOI: 10.1107/S1600536808026846

In the crystal structure of the title Schiff-base, C(20)H(21)N(3)O(4), the amino group forms an N-H⋯O hydrogen bond to the acetyl group of an adjacent mol-ecule, forming a zigzag chain. The 2-hydr-oxy group is inter-nally hydrogen bonded to the amido group though an O-H⋯O hydrogen bond.

Fulltext Corrigendum to "Hepatoprotective Role of Ethanolic Extract of Vitex negundo in Thioacetamide-Induced Liver Fibrosis in Male Rats"

Kadir FA, Kassim NM, Abdulla MA, Yehye WA

Evid Based Complement Alternat Med, 2018;2018:8464628.

PMID: 30519271 DOI: 10.1155/2018/8464628

[This corrects the article DOI: 10.1155/2013/739850.].

Fulltext Hepatoprotective Role of Ethanolic Extract of Vitex negundo in Thioacetamide-Induced Liver Fibrosis in Male Rats

Kadir FA, Kassim NM, Abdulla MA, Yehye WA

Evid Based Complement Alternat Med, 2013;2013:739850.

PMID: 23762157 DOI: 10.1155/2013/739850

The hepatoprotective activity of ethanolic extract from the leaves of Vitex negundo (VN) was conducted against thioacetamide- (TAA-) induced hepatic injury in Sprague Dawley rats. The therapeutic effect of the extract was investigated on adult male rats. Rats were divided into seven groups: control, TAA, Silymarin (SY), and VN high dose and low dose groups. Rats were administered with VN extract at two different doses, 100 mg/kg and 300 mg/kg body weight. After 12 weeks, the rats administered with VN showed a significantly lower liver to body weight ratio. Their abnormal levels of biochemical parameters and liver malondialdehyde were restored closer to the normal levels and were comparable to the levels in animals treated with the standard drug, SY. Gross necropsy and histopathological examination further confirmed the results. Progression of liver fibrosis induced by TAA in rats was intervened by VN extract administration, and these effects were similar to those administered with SY. This is the first report on hepatoprotective effect of VN against TAA-induced liver fibrosis.

PASS-assisted design, synthesis and antioxidant evaluation of new butylated hydroxytoluene derivatives

Ariffin A, Rahman NA, Yehye WA, Alhadi AA, Kadir FA

Eur J Med Chem, 2014 Nov 24;87:564-77.

PMID: 25299680 DOI: 10.1016/j.ejmech.2014.10.001

New multipotent antioxidants (MPAOs), namely 1,3,4-thiadiazoles and 1,2,4-triazoles bearing the well-known free radical scavenger butylated hydroxytoluene (BHT), were designed and synthesized using an acid-(base-) catalyzed intramolecular dehydrative cyclization reaction of the corresponding 1-acylthiosemicarbazides. The structure-activity relationship (SAR) of the designed antioxidants was performed along with the prediction of activity spectra for substances (PASS) training set. Experimental studies based on antioxidant activity using DPPH and lipid peroxidation assays verified the predictions obtained by the PASS-assisted design strategy. Compounds 4a-b, 5a-b and 6a-b showed an inhibition of stable DPPH free radicals at a 10(-4) M more than the well-known standard antioxidant BHT. Compounds with p-methoxy substituents (4b, 5b and 6b) were more active than o-methoxy substituents (4a, 5a and 6a). With an IC50 of 2.85 ± 1.09 μM, compound 6b exhibited the most promising in vitro inhibition of lipid peroxidation, inhibiting Fe(2+)-induced lipid peroxidation of essential oils derived from the egg yolk-based lipid-rich medium by 86.4%. The parameters for the drug-likeness of these BHT derivatives were also evaluated according to Lipinski's 'rule-of-five'. All of the BHT derivatives were found to violate one of Lipinski's parameters (Log P ≥ 5) even though they have been found to be soluble in protic solvents. The predictive TPSA and %ABS data allow for the conclusion that these compounds could have a good capacity for penetrating cell membranes. Therefore, these novel MPAOs containing lipophilic and hydrophilic groups can be proposed as potential antioxidants for tackling oxidative stress and lipid peroxidation processes.

Fulltext PASS-predicted hepatoprotective activity of Caesalpinia sappan in thioacetamide-induced liver fibrosis in rats

Kadir FA, Kassim NM, Abdulla MA, Kamalidehghan B, Ahmadipour F, Yehye WA

ScientificWorldJournal, 2014;2014:301879.

PMID: 24701154 DOI: 10.1155/2014/301879

The antifibrotic effects of traditional medicinal herb Caesalpinia sappan (CS) extract on liver fibrosis induced by thioacetamide (TAA) and the expression of transforming growth factor β1 (TGF-β1), α-smooth muscle actin (αSMA), and proliferating cell nuclear antigen (PCNA) in rats were studied. A computer-aided prediction of antioxidant and hepatoprotective activities was primarily performed with the Prediction Activity Spectra of the Substance (PASS) Program. Liver fibrosis was induced in male Sprague Dawley rats by TAA administration (0.03% w/v) in drinking water for a period of 12 weeks. Rats were divided into seven groups: control, TAA, Silymarin (SY), and CS 300 mg/kg body weight and 100 mg/kg groups. The effect of CS on liver fibrogenesis was determined by Masson's trichrome staining, immunohistochemical analysis, and western blotting. In vivo determination of hepatic antioxidant activities, cytochrome P450 2E1 (CYP2E1), and matrix metalloproteinases (MPPS) was employed. CS treatment had significantly increased hepatic antioxidant enzymes activity in the TAA-treated rats. Liver fibrosis was greatly alleviated in rats when treated with CS extract. CS treatment was noted to normalize the expression of TGF-β1, αSMA, PCNA, MMPs, and TIMP1 proteins. PASS-predicted plant activity could efficiently guide in selecting a promising pharmaceutical lead with high accuracy and required antioxidant and hepatoprotective properties.

Fulltext Discovery of potential anti-infectives against Staphylococcus aureus using a Caenorhabditis elegans infection model

Kong C, Yehye WA, Abd Rahman N, Tan MW, Nathan S

BMC Complement Altern Med, 2014;14:4.

PMID: 24393217 DOI: 10.1186/1472-6882-14-4

The limited antibiotic options for effective control of methicillin-resistant Staphylococcus aureus infections has led to calls for new therapeutic approaches to combat this human pathogen. An alternative approach to control MRSA is through the use of anti-infective agents that selectively disrupt virulence-mediated pathways without affecting microbial cell viability or by modulating the host natural immune defenses to combat the pathogen.

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