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New hydrazonoyl chloride derivatives were prepared and characterized. Their VO(II) complexes were isolated after adjusting reaction medium to slightly basic by 0.5 g acetate. Neutral tridentate mode is a general coordination feature of ligands towards binuclear VO(II) atoms. Square pyramidal is a proposed configuration for all complexes. XRD and SEM analysis offer an assertion about the presence of all compounds excellently in nano-scale for well crystals. TGA and DTA analysis reflect low thermal stability for crystals occluded with water molecules as well as kinetic parameters clarify rigidity of coordination spheres. Molecular modeling using Gaussian09 software was implemented through DFT/B3LYP method by definite base sets. The best configurations were extracted and essential parameters were calculated over visualized structures. Log P was calculated for all hydrazonoyl derivatives and offering distinguish biological feature of HL3. Docking process was executed using AutoDock tools 4.2 over 1sm3, 4uy9 and 5j6a protein receptors (breast, colon and liver cancers, respectively) beside 2ki2 for DNA. This study was concerned to make matching with biological investigation intended in the study. The best interaction was recorded with 1sm3 and 2ki2 receptors. Antitumor activity was screened for all compounds by a comparative view over breast, colon and liver carcinoma cell lines. IC50 values represent promising efficiency of most tested compounds against breast, colon and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (Kb) values are in agreement with electron drawing character for p-substituent which offer high Kb values. Also variable Hammett's relations were drawn.

Platinum(II) and vanadium(V) solid binary and ternary complexes involving naringin, a flavanone glycoside in found in grapefruit, and some phenolic acids were synthesized and fully characterized using detailed structural and spectroscopic analysis techniques such as IR, NMR, and SEM techniques. The magnetic susceptibility results as well line drawings of the platinum and vanadium complexes showed four-coordinate square-planar and remarkable low-spin diamagnetic species; which is in agreement with the structures proposed. The cytotoxic activities of the binary and ternary vanadium and platinum metal complexes of phenolic acids and naringin were tested and evaluated against HepG2 (human hepatocellular carcinoma), MCF-7 (human breast adenocarcinoma), and HCT116 (human colorectal carcinoma) tumor cell lines. Also, their antioxidant activities were examined by free radical scavenging assay. The relationship between the chemical structure of the synthesized complexes and their biological influence was studied and evaluated.

Kleinia pendula (Forssk.) DC. is a prostrate or pendent dark green succulent herb found in the southwestern mountain regions of Saudi Arabia. The literature survey of the plant reveals a lack of phytochemical and pharmacological studies, although traditional uses have been noted. The objective of the present work was to assess the in vivo analgesic and anti-inflammatory activities, as well as, the in vitro cytotoxic potential of the fractions of Kleinia pendula, and correlate these activities to the plant metabolites. The methanolic extract of Kleinia pendula was subjected to fractionation with n-hexane, ethyl acetate, chloroform, n-butanol, and water. The fractions were screened for their analgesic and anti-inflammatory activities, as well as cytotoxic activity against breast, liver, and colon cancer cell lines. The n-hexane and chloroform fractions of Kleinia pendula showed significant cytotoxic activity against all three cancer cell lines tested. The ethyl acetate and chloroform fractions showed significant analgesic and anti-inflammatory activities. The metabolites in these three active fractions were determined using UPLC-PDA-ESI-MS. Thus, the analgesic and anti-inflammatory activities of the plant were attributed to its phenolic acids (caffeoylquinic acid derivatives, protocatechuic, and chlorogenic acids). While fatty acids and triterpenoids such as (tormentic acid) in the hexane fraction are responsible for the cytotoxic activity, thus, these fractions of Kleinia pendula may be a novel source for the development of new plant-based analgesic, anti-inflammatory, and anticancer drugs.

A synthesized aurintricarboxylic acid (ATA) complex was deliberately investigated. Spectral, thermal, theoretical and antitumor studies are accomplished in this study. Elaborated electronic and EPR considerations are introducing parameters support the structural discussion of complexes. Octahedral geometry is proposed for all complexes except VO(II) is a square-pyramidal configuration. Molecular modeling utilizing Gaussian 09 program (HF/DFT) was used to verify the mode of bonding through the optimized geometries as well as essential quantum parameters were calculated using frontier energies (E HOMO & E LUMO). The soft character of the complexes may expect their excellent biological feature. The molecular docking computational achievement displays distinguished bounds of ATA drug with human colorectal carcinoma and human hepatic carcinoma. However, the interaction with human breast carcinoma receptor is completely absent. This behavior may clarify the antitumor activity of the complexes under investigation. The experimental work was supported with docking for carcinoma receptors used experimentally. VO(II) complex displays distinguished inhibition activity toward human carcinoma used. This is pointed to the other important use for ATA drug complexes exceeding the antibacterial field.

Four siderophore analogues were isolated and purified from Escherichia coli, Bacillus spp. ST13, and Streptomyces pilosus microorganisms under some specific submerged fermentation conditions. In order to evaluate the highest production of this siderophore analogues through the growth, a rapid spectrophotometric screening semi-quantitative method was used, in which interestingly the analogues were isolated in its own form not its iron chelate. After chromatographic separation, the chemical structures of the isolated and purified siderophores were illustrated using detailed spectroscopic techniques. The biodegradation studies were done on that four novel isolated and purified siderophores following OECD protocols. In addition, the bioactivities of these siderophores and their iron complexes were examined and evaluated.

There are many molecules used as drug carrier. TUD-1 is a newly synthesized mesoporous silica (SM) molecule possess two important features; consists of mesoporous so it is very suitable to be drug carrier in addition to that it has the ability to induce apoptosis in cancer cells. However, the effect of TUD-1 appears to act as cell death inducer, regardless of whether it is necrosis or apoptosis. Unfortunately, recent studies indicate that a proportion of cells undergo necrosis rather than apoptosis, which limits the use of TUD-1 as a secure treatment. On the other hand, lithium considered as necrosis inhibitor element. Hence, current study based on the idea of production a new Li/TUD-1 by incorporated mesoporous silica (TUD-1 type) with lithium in order to produce a new compound that has the ability to activate apoptosis by mesoporous silica (TUD-1 type) and at the same time can inhibit the activity of necrosis by lithium. Herein, lithium was incorporated in TUD-1 mesoporous silica by using sol-gel technique in one step synthesis procedure. Moreover, lithium was incorporated in TUD-1 with different loading in order to form different active sites such as isolated lithium ions, nanoparticles of Li2O, and bulky crystals of Li2O. The ability of the new compounds to induce apoptosis and prevent necrosis was evaluated on three different types of cancer cell lines which are; liver HepG-2, Breast MCF-7 and colon HCT116. The obtained results show that Li/TUD-1has the ability to control necrosis and thus reduce the side effects of treatments containing silica in the case of lithium has been added to them, especially in chronic cases. This has been demonstrated by the significant increase in the IC50 value and cell viability comparing to control groups. Consequently, the idea is new, so it definitely needs more develop and test with materials that have more apoptotic impact than silica in order to induce apoptosis without induction of necrosis.

A series of perimidine derivatives (L1–5) were prepared and characterized by IR, 1H·NMR, mass spectroscopy, UV-Vis, XRD, thermal, and SEM analysis. Five VO(II) complexes were synthesized and investigated by most previous tools besides the theoretical usage. A neutral tetradentate mode of bonding is the general approach for all binding ligands towards bi-vanadyl atoms. A square-pyramidal is the configuration proposed for all complexes. XRD analysis introduces the nanocrystalline nature of the ligand while the amorphous appearance of its metal ion complexes. The rocky shape is the observable surface morphology from SEM images. Thermal analysis verifies the presence of water of crystallization with all coordination spheres. The optimization process was accomplished using the Gaussian 09 software by different methods. The most stable configurations were extracted and displayed. Essential parameters were computed based on frontier energy gaps with all compounds. QSAR parameters were also obtained to give another side of view about the biological approach with the priority of the L3 ligand. Applying AutoDockTools 4.2 program over all perimidine derivatives introduces efficiency against 4c3p protein of breast cancer. Antitumor activity was screened for all compounds by a comparative view over breast, colon, and liver carcinoma cell lines. IC50 values represent promising efficiency of the L4-VO(II) complex against breast, colon, and liver carcinoma cell lines. The binding efficiency of ligands towards CT-DNA was tested. Binding constant (Kb) values are in agreement with the electron-drawing character of the p-substituent which offers high Kb values. Also, variable Hammett’s relations were drawn.

New synthesis of Co(II), Cu(II), Hg(II), UO2(II) and Pb(II) binuclear nanometric complexes derived from multi-donor ligand is reported. Structural and molecular formulae of all isolated complexes were established. Bi-negative hexa-dentate mode of ligand was proposed for the two central atoms in all complexes. Infrared, UV–visible, magnetic moments, electron paramagnetic resonance, thermogravimetric analysis and elemental analysis were used to build all structural formulae. X-ray diffraction and scanning electron microscopy were used to determine the morphological features of the compounds and to compute particle sizes. Theoretical computations were implemented to support the proposed formulae. Kinetic study was executed over suitable stages to clarify the comparative stabilities. The DFT/B3LYP method, using the Gaussian 09 program, was utilized for optimizing the distribution of atoms over all compounds except the UO22+ complex. This exclusion refers to an inability to find a suitable method. Significant parameters were estimated using frontier energies (highest occupied and lowest unoccupied molecular orbitals) and data log file. A quantitative structure–activity relationship study applying HyperChem was executed for the organic compound tautomer forms to give a significant view about their biological character. AutoDock tools 4.2 were used to investigate the biological trend of organic compounds (keto and enol) against three types of proteins. The types were chosen related to in vitro investigation: breast, prostate and liver carcinoma proteins. IC50 values indicated insignificant inhibition activity towards all carcinoma cell lines under investigation, except for the Hg(II) complex which displayed distinct activity against breast carcinoma compared with reference drug (doxorubicin).