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Publications (122)
Objective: To elucidate the in vivo hypoglycemic capability, antihyperglycemic and antihyperlipidemic activities of Pereskia bleo (Kunth) leaves extracts and bioactive fraction. Methods: The various solvent extracts of Pereskia bleo were investigated for the hypoglycemic and antihyperglycemic activities using a relevant in vivo normal rat model and...
Dengue virus Type 2 (DENV-2) is predominant serotype causing major dengue epidemics. There are a number of studies carried out to find its effective antiviral, however to date, there is still no molecule either from peptide or small molecules released as a drug. The present study aims to identify small molecules inhibitor from National Cancer Insti...
Synthesis of thioguanine derivatives.
General procedure for synthesis of Schiff base-thioguanine compounds, acetamide-thioguanine compounds, N-alkylation of acetamide-thioguanine, and S/N-benzylation of acetamide-thioguanine.
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Structure of 1–21.
The numbering system is according to the NMR characterisation.
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The 24 NCI compounds selected from virtual screening.
The NCI compounds are named in two codes and the free energy of binding upon DENV-2 NS2B/NS3pro binding site is expressed in kcal/mol.
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The molecular interaction between Panduratin A with DENV-2 NS2B/NS3pro.
The NS2B-NS3pro is presented in a surface form. The ligands are presented in a stick form in which carbons are grey while oxygens are red. The ligand is docked at the active site of the protease with the hydrophilic moieties surrounded by catalytic site(His51, Asp75 and Ser135)...
Pseudomonas aeruginosa is naturally resistant to many classes of antipseudomonal antibiotics due to the species ability to easily acquire resistance. Plant-based antibacterial agent in combination with the existing antibiotic proposes an alternative treatment regimen for the eradication of resistant bacterial infections. The antibacterial effects o...
Figure S1: broth microdilution checkerboard plate containing respective combination of concentrations (μg/mL) of epicatechin 3-gallate and cefepime. E: epicatechin 3-gallate and Cef: cefepime. The final concentrations of epicatechin 3-gallate and cefepime were 0.5, 1, 2, 4, 8, 16, and 32 μg/mL, respectively.
We report the computational and experimental efforts in the design and synthesis of novel neuraminidase (NA) inhibitors from ferulic acid and vanillin. Two proposed ferulic acid analogues, MY7 and MY8 were predicted to inhibit H1N1 NA using molecular docking. From these two analogues, we designed, synthesised and evaluated the biological activities...
Increased reports of oseltamivir (OTV) resistant strains of the influenza virus, such as H274Y mutation on its neuraminidase (NA), have created some cause for concern. Many studies were conducted in the attempt to uncover the mechanism of OTV resistance in H274Y NA. However, most of the reported studies on H274Y only focused on the drug-bound syste...
| Channa striatus is a carnivorous freshwater fish that is commonly consumed among Malaysians. The fish is known to contain compound(s) that can accelerate the wound healing process in humans, but the attributes of these compound(s) are yet to be clarified. In the current study, we have performed a thorough proteomic profiling of spray -dried and f...
Recent outbreaks of highly pathogenic and occasional drug-resistant influenza strains have highlighted the need to develop novel anti-influenza therapeutics. Here we report computational and experimental efforts to identify influenza neuraminidase inhibitors from among the 3000 natural compounds in the Malaysian-Plants Natural-Product (NADI) databa...
A b s t r a c t Haruan extract has a big potential as an active pharmaceutical ingredient for various medical conditions. However, instability of the liquid extract at room temperature has been a hindrance in the formulation stage of the preparation. Thus, dried Haruan extract has been produced using freeze drying and spray drying methods. In the s...
Haruan extract was dried using two methods of drying namely freeze drying and spray drying. The
drying principles of these two methods are different where freeze drying is a dehydration process by
sublimation of the frozen water in the materials while spray drying is a drying process that involves
heat. Haruan extract contains amino acids and fatty...
Background : Channa strlatus (Haruan) is widely consumed in Malaysia to promote wound healing. Nutrition is crucial in a holistic approach to wound healing. Nurses need to understand the roles of specific nutrients in wound repair Such an understanding would enhance their role in the assessment of nutritional risk and enable them to obtain more eas...
The leaves of Blumea balsamifera are used as a folk medicine in kidney stone diseases in South-East Asia. Phytochemical investigation revealed leaves contained a number of flavonoids. In view of these, the present work was aimed to quantify and preliminary pharmacokinetic investigation of five flavonoids viz. dihydroquercetin-7,4¢-dimethyl ether (I...
The pharmacokinetic of simvastatin 40 mg tablet was assessed in 9 healthy Malaysian male subjects
after a single oral dose in Pinang Hospital, Malaysian. Blood samples were collected at specified time intervals,
plasma separated and analyzed for simvastatin using validated LC-MS-MS method at unversiti sains Malaysia.
The pharmacokinetic parameters...
Corn silk refers to the stigmas of Zea mays L. (Gramineae) from the female flowers of maize. Based on its flavonoid contents, it is medicinally used in the treatment of a number of diseases. Screening of plants against pathogenic bacteria is an important step to validate its medicinal properties. Therefore, the aim of this study was to investigate...
In the title compound, C13H18N2O4S, the piperazine ring adopts a chair conformation. The dihedral angle between the least-squares planes through the piperazine and benzene rings is 73.23 (10)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak C—H⋯π interactions.
In the title compound, C13H15F2NO, the piperidine ring adopts a chair conformation. The dihedral angle between the least-squares plane of the piperidine ring and the benzene ring is 48.75 (7)°. In the crystal structure, the molecules are connected via C—H⋯O hydrogen bonds, forming a zigzag chain along the b axis.
In the crystal structure of the title compound, C10H10N⁺·Cl⁻, the two components are connected via N—H⋯Cl hydrogen bonds, forming a layer parallel to the bc plane.
The asymmetric unit of the title compound, C7H5NS·0.5C2H2O4, contains one benzothiazole molecule and half an oxalic acid molecule, the complete molecule being generated by inversion symmetry. The benzothiazole molecule is essentially planar, with a maximum deviation of 0.007 (1) Å. In the crystal, the benzothiazole molecules interact with...
In the title compound, C14H16N2O4S2, the dihedral angle between the terminal phenyl rings is 77.07 (13)°. The geometries around the S atoms are distorted tetrahedral, with O—S—O angles of 120.66 (12) and 119.44 (11)°. In the crystal, molecules are stacked in columns along the a axis via intermolecular N—H⋯O and C—H⋯O hydrogen bonds.
The complete molecule of the title compound, C27H18F4N2O2, is generated by crystallographic twofold symmetry, with one C atom lying on the rotation axis. The dihedral angle between fluoro-substituted phenyl ring and the adjacent benzene ring is 10.37 (5)°. In the crystal, molecules are connected by N—H⋯O and C—H⋯F hydrogen bonds, resulting in sup...
Blumea balsamifera DC (Compositae) leaves have been recommended for use as a folk medicine in the treatment of various diseases related to urolithiasis in southeast Asia. Phytochemical studies of this plant revealed it contains four classes of flavonoids (e.g., flavonols, flavones, flavanones, and dihydroflavonol derivatives).
In view of the broad...
In the title compound, C7H11N2⁺·C7H5O2⁻, the 2-amino-4,6-dimethylpyridinium cation and the benzoate anion are linked by two N—H⋯O hydrogen bonds, forming an R2²(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the molecules are stabilized by intermole...
In the crystal of the title molecular salt, C5H8N3+·C8H5O4−, the diaminopyridine cation and the phthalate anion are linked by a pair of N—H...O hydrogen bonds. Within the phthalate anion, an almost symmetrical O—H...O hydrogen bond is observed. The ion pairs are linked by further N—H...O hydrogen bonds, generating a two-dimensional network lying pa...
In the crystal of the title molecular salt, C5H8N3⁺·C8H5O4⁻, the diaminopyridine cation and the phthalate anion are linked by a pair of N—H⋯O hydrogen bonds. Within the phthalate anion, an almost symmetrical O—H⋯O hydrogen bond is observed. The ion pairs are linked by further N—H⋯O hydrogen bonds, generating a two-dimensional network lying parall...
In the title compound, C7H4F2O2, the dihedral angle between the benzene ring and the carboxylate group is 33.70 (14)°. In the crystal structure, inversion dimers linked by pairs of O—H...O hydrogren bonds occur, generating R22(8) loops. The dimers are linked into sheets lying parallel to (102) by C—H...F hydrogen bonds.
In the cation of the title compound, C12H10F2N3O⁺·Cl⁻, the dihedral angle between the pyridine and benzene rings is 16.1 (1)°. In the crystal structure, molecules linked into two-dimensional sheets parallel to the bc plane by intermolecular N—H⋯Cl, C—H⋯Cl and C—H⋯F hydrogen bonds.
In the title compound, C7H4F2O2, the dihedral angle between the benzene ring and the carboxylate group is 33.70 (14)°. In the crystal structure, inversion dimers linked by pairs of O—H⋯O hydrogren bonds occur, generating R2²(8) loops. The dimers are linked into sheets lying parallel to (102) by C—H⋯F hydrogen bonds.
In the title compound, (C5H8N3)2[Co(H2O)6](SO4)2·2H2O, the complete complex cation is generated by crystallographic inversion symmetry, such that the CoII cation is octahedrally coordinated by six water molecules. The organic cation is essentially planar, with a maximum deviation of 0.013 (1) Å. In the crystal structure, the ions and molecules a...
In the anion of the title molecular salt, C6H16N+·C6H4O5S−, the nitro group is twisted slightly from the benzene ring, making a dihedral angle of 3.16 (10)°. In the crystal structure, the cations and anions are linked into a two-dimensional network parallel to the ab plane by C—H...O and N—H...O hydrogen bonds.
In the organic cation of the title compound, C13H20N3⁺·Cl⁻·H2O, the two pyrrolidine rings adopt twisted conformations. The pyridine ring makes dihedral angles of 14.57 (6) and 23.96 (6)° with the mean planes of the pyrrolidine rings. In the crystal structure, pairs of bifurcated intermolecular O—H⋯Cl hydrogen bonds link the water molecules and ch...
The title complex, [Cu(C4H5O6)2(H2O)2]·2H2O, contains a CuII ion lying on an inversion centre. The coordination geometry of the CuII ion is a distorted octahedron with four O atoms from two hydrogen tartrate ions occupying the equatorial positions and two O atoms from two coordinated water molecules occupying the axial positions. In the crystal s...
In the anion of the title molecular salt, C6H16N⁺·C6H4O5S⁻, the nitro group is twisted slightly from the benzene ring, making a dihedral angle of 3.16 (10)°. In the crystal structure, the cations and anions are linked into a two-dimensional network parallel to the ab plane by C—H⋯O and N—H⋯O hydrogen bonds.
In the title compound, C24H28O5, the two cyclohexene rings adopt envelope conformations, and the planes through the coplanar atoms makes dihedral angles of 82.86 (6) and 77.90 (6)° with the benzene ring. The two cyclohexene rings make a dihedral angle of 5.33 (6)° between their least-squares planes. The pyran ring adopts a flattened boat conforma...
In the title compound, C18H21NO3, the oxazolidine ring adopts an envelope conformation with the N atom at the flap position. The two benzene rings make dihedral angles of 74.27 (14) and 73.26 (15)° with the mean plane through the oxazolidine ring. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds connect adjacent molecules into chains along...
In the title compound, [Na(C6H3Cl2O3S)(H2O)]n, the NaI ion is pentacoordinated by three dichlorobenzenesulfonate anions and two water molecules, forming a distorted trigonal-bipyramidal geometry. The NaI ions are bridged by the sulfonate groups and the water molecules, leading to a polymeric layer structure parallel to the bc plane in which O—...
The asymmetric unit of the title compound, (CH6N3)2[Zn2(C6H5O7)2(H2O)2]·2H2O, contains one-half of a centrosymmetric dizinc(II) complex anion, one guanidinium cation and one water molecule. Each ZnII ion is hexacoordinated by two citrate anions, one in a bidentate fashion and the second monodentate, and two water molecules in a distorted octahedral...
The asymmetric unit of the title compound, (CH6N3)2[Zn2(C6H5O7)2(H2O)2]·2H2O, contains one-half of a centrosymmetric dizinc(II) complex anion, one guanidinium cation and one water molecule. Each ZnII ion is hexacoordinated by two citrate anions, one in a bidentate fashion and the second monodentate, and two water molecules in a distorted octahe...
A monoclinic polymorph of the title compound, [Na(C4H5O6)(H2O)]n, is reported and complements an orthorhombic form [Kubozono, Hirano, Nagasawa, Maeda & Kashino (1993). Bull. Chem. Soc. Jpn, 66, 2166–2173]. The asymmetric unit contains a hydrogen tartrate anion, an Na⁺ cation and a water molecule. The Na⁺ ion is surrounded by seven O atoms derive...