Finding potential inhibitors for Main protease (Mpro) of SARS-CoV-2 through virtual screening and MD simulation studies.

SARS-CoV-2 is a highly hazardous species that can infect people with Covid-19 disease, dramatically increasing mortality rates worldwide. Plenty of researches have been done to find drugs or inhibitors, with this study aiming to identify an inhibitor within the ChEMBL database using computational approaches. From the ChEMBL library, 19,43,048 compounds which are known type of small compounds and proteins were downloaded and docked with the Main protease (Mpro). After performing compound screening using Lipinski's rule, Qikprop analysis following with virtual Screening, Induced Fit Docking (IFD) and MM-GBSA analysis with the Glide and Prime modules of Schrödinger, the best complex was subjected to MD simulation with Desmond. According to the docking results, small protein 2,371,668 and compound 1,090,395 were docked with Main protease with -12.6, -12.0 kcal/mol dock score and interacted with the functional site residues His 41 and Cys 145, as well as the binding site residues Thr 26, Phe 140, Asn 142, Gly 143, Glu 166, and Gln 189. Complex structures were shown to be steadier by the MD simulation study because both the ligands heavy atoms and the protein Cα atoms' RMSD values fell within acceptable ranges. As a result, this research suggests that the molecule CHEMBL2371668 and the compound CHEMBL1090395 may inhibit the activity of Main protease, and the usefulness of these molecules will be examined further through experimental research.

Mushroom tyrosinase enzyme catalysis: synthesis of larvicidal active geranylacetone derivatives against Culex quinquesfasciatus and molecular docking studies.

The grindstone process, which uses tyrosinase as a catalyst, was used to create analogues of geranylacetone. Tyrosinase was used to prepare the Mannich base under favourable reaction conditions, resulting in a high yield. All synthesized compounds were characterized using FTIR, Nuclear magnetic resonance, and mass spectral analyses. The active geranylacetone derivatives (1a-l) were investigated for larvicidal activity against Culex quinquefasciatus; compound 1b (LD50:20.7 µg/mL) was noticeably more effective than geranylacetone (LD50: >100 µg/mL) and permethrin (LD50: 24.4 µg/mL) lead compounds because of their ability to kill larvae and use them as pesticides. All compounds (1a-1l) were found to be low toxic, whereas compounds 1b, 1d, and 1k were screened for antifeedant screening of non -aquatic target for the toxicity measurement against marine fish Oreochromis mossambicus at 100 µg/mL caused 0% mortality in within 24 h. Molecular docking studies of synthesised compound 1b and permethrin docked with 3OGN, compound 1b demonstrated a greater binding affinity (-9.6 kcal/mol) compared to permethrin (-10.5 kcal/mol). According to these results, the newly synthesised geranylacetone derivatives can serve as lead molecules of larvicides agents.

Climate change and hydrological regime in arid lands: Impacts of dams on the plant diversity, vegetation structure and soil in Saudi Arabia.

As the direct effects of climate change on the hydrological regime, Saudi Arabia has constructed more than 522 dams of various capacities as part of economic and environmental development. The study aims to assess the impact of dams on plant diversity, vegetation structure and soil in Saudi Arabia. Thirty-five stands were selected from the dams of different sizes of Saudi Arabia. Vegetation samples were established before (upstream) and after (downstream) the dam, and at the undammed (unaffected by the dam) to compare species diversity in the dam sites and undammed sites and to document the potential effects of dams on vegetation structure. A total of 151 plant species belonging to 36 families have been recorded. The vegetation associations are essentially shrubby with widespread annuals. Six novel associations were identified with the application of TWINSPAN, DCA, and CCA programs. They were named after the characteristic species as follows: VG I: Acacia gerrardii-Caralluma retrospiciens; VGII: Acacia tortilis-Maerua oblongifolia; VGIII: Lycium shawii-Farsetia aegyptiaca; VG IV: Farsetia stylosa-Cornulaca monocantha; VG V: Suaeda aegyptiaca-Salsola imbricata-Prosopis farcta and VGVI: Xanthium strumarium-Ochradenus baccatus. These plant communities are evaluated and discussed according to their floristic structure, vegetation diversity and edaphic variables. The riparian or streamside zones upstream and downstream that are periodically flooded contain highly diverse plant communities that are structured by flooding, which creates disturbance and acts as a dispersal mechanism for plants than undammed sites.

Effects of ocean acidification on the growth and biochemical composition of a green alga (Ulva fasciata) and its associated microbiota.

In marine ecosystems, fluctuations in surface-seawater carbon dioxide (CO2), significantly influence the whole metabolism of marine algae, especially during the early stages of macroalgal development. In this study, the response of the green alga Ulva fasciata for elevating ocean acidification was investigated using four levels of pCO2 ~ 280, 550, 750 and 1050 µatm. Maximum growth rate (6.6% day-1), protein (32.43 %DW) and pigment (2.9 mg/g) accumulation were observed at pCO2-550 with an increase of ~2-fold compared to control. On the other hand, lipid and carbohydrate contents recorded their maximum production (4.23 and 46.96 %DW, respectively) at pCO2-750 while control showed 3.70 and 42.37 %DW, respectively. SDS-PAGE showed the presence of unique bands in response to pCO2, especially at 550 µatm. Dominant associated bacteria was shifted from Halomonas hydrothermalis of control to Vibrio toranzoniae at pCO2-1050. These findings suggest that ocean acidification at 550 µatm might impose noticeable effects on growth, protein, pigments, and protein profile of U. fasciata, which could be a good source for fish farming. While, pCO2-750 was recommended for energetic purpose, due to its high lipid and carbohydrate contents.

Ecology of inland sand dunes "nafuds" as a hyper-arid habitat, Saudi Arabia: Floristic and plant associations diversity.

Sand seas of Saudi Arabia cover about one-third of the Arabian Peninsula and are still poorly explored in scientific literature. This study aimed to address the floristic structure and association diversity of the inland sand seas in central Saudi Arabia after 20 years of protection. Twenty-three relevés were selected in Nafud Al-Urayq reserve to cover different sandy dune variations. These relevés are subjected to floristic and multivariate analysis of classification with TWINSPAN and ordination with DECORANA & CANOCO techniques. One hundred thirty-five species belonging to 108 genera in 37 families have been recorded. Annual and perennial species are equally represented. Four vegetation groups (i.e., plant associations) are identified as the following: VG I (Haloxylon salicornicum-Lycium shawii-Acacia raddiana), VG II (Calligonum comosum-Tetraena propinqua), VG III (Haloxylon persicum-Haloxylon salicornicum-Stipagrostis drarii), and VG IV (Pulicaria undulata-Citrullus colocynthis). The association of VG I inhabited in the wadi and non-dune or shallow sand habitat had the high species diversity indices (i.e., total species, species richness, species evenness and Shannon index). In contrast, the association of VG II inhabited hyper-arid and salinized habitat and had low species diversity indices. These associations are discussed and illustrated in accordance with competition and adaptation. The advantages of inland sand dune vegetation therefore apply specifically to habitat management and the conservation of plants. These studies extend the advantages of succession of sand dunes and show that rising vegetative diversity is consistent with the combat of desertification.

Molecular characterization of endangered endemic plant Aloe pseudorubroviolacea using chloroplast matK and plastid rbcL gene.

An endangered and rare species Aloe pseudorubroviolacea from the plant family Asphodelaceae which is presently recorded as endangered in Saudi Arabia collected from Al-Baha region of Saudi Arabia its GPS Latitude and Longitude coordinates 19.8345, 41.5481. The chloroplast matK and rbcL gene was considered in this study based on molecular identification the size is about 571 and 664 bp respectively. From the sequence analysis the gene matK and rbcL confirm that this species is very much closely related with A. rubroviolacea and also inter related with the species Astroloba rubriflora, Chrysopogon gryllus, Chortolirion angolense shows about 98.7% sequence homology. The partial matK and rbcL gene sequence discriminate Aloe pseudorubroviolacea from the closely related plant species, A. rubroviolacea. The gene sequence of rbcL discriminates the species from Chrysopogon gryllus and Chortolirion angolense, demonstrates the nucleotide variations in 3 different sites (623C/T; 653C/T; 700C/A). This study showed that matK and rbcL sequence region of chloroplast gene used to authenticate the samples of A. pseudorubroviolacea and which provide to help in correct identification and conservation process of this medicinally valuable endangered plant species.

Identification of potential drug targets in human pathogen Bacillus cereus and insight for finding inhibitor through subtractive proteome and molecular docking studies.

Bacillus cereus is a gram-positive, anaerobic, spore-forming bacterium related to food poisoning in humans. Vomit and diarrhea are the symptoms of foodborne B. cereus infection caused by emetic toxins and three enterotoxins, respectively. This bacterium is broadly present in soil and foods such as vegetables, spices, milk, and meat. The antibiotics impenem, vancomycin, chloramphenicol, gentamicin, and ciprofloxacin are used for all susceptible strains of B. cereus. But these antibiotics cause side effects in the host due to the drug-host interaction; because the targeted proteins by the drugs are not pathogen specific proteins, they are similar to human proteins also. To overcome this problem, this study focused on identifying putative drug targets in the pathogen B. cereus and finding new drugs to inhibit the function of the pathogen. The identification of drug targets is a pipeline process, starting with the identification of targets non-homologous to human and gutmicrobiota proteins, finding essential proteins, finding other proteins that highly interact with these essential proteins that are also highly important for protein network stability, finding cytoplasmic proteins with a clear pathway and known molecular function, and finding non-druggable proteins. Through this process, two novel drug targets were identified in B. cereus. Among the various antibiotics, Gentamicin had showed good binding affinity with the identified novel targets through molecular modeling and docking studies using Prime and GLIDE module of Schrödinger. Hence, this study suggest that the identified novel drug targets may very useful in drug therapeutic field for finding inhibitors which are similar to Gentamicin and designing new formulation of drug molecules to control the function of the foodborne illness causing pathogen B. cereus.

Remote sensing of 10 years changes in the vegetation cover of the northwestern coastal land of Red Sea, Saudi Arabia.

Accurate and up to date land use and land cover (LU/LC) changes information is the main source to understanding and assessing the environmental outcomes of such changes and is important for development plans. Thus, this study quantified the outlines of land cover variation of 10-years in the northwestern costal land of the Red Sea, Saudi Arabia. Two different supervised classification algorithms are visualized and evaluated to preparing a policy recommendation for the proper improvements towards better determining the tendency and the proportion of the vegetation cover changes. Firstly, to determine present vegetation structure of study area, 78 stands with a size of 50 × 50 m were analysed. Secondly, to obtain the vegetation dynamics in this area, two satellite images of temporal data sets were used; therefore, SPOT-5 images were obtained in 2004 and 2013. For each data set, four SPOT-5 scenes were placed into approximately 250-km intervals to cover the northwestern coastal land of the Red Sea. Both supervised and non-supervised cataloguing methods were attained towards organise the study area in 4-major land cover classes through using 5 various organizations algorithms. Approximately 900 points were evenly distributed within each SPOT-5 image and used for assessment accuracy. The floristic composition exhibits high diversity with 142 species and seven vegetation types were identified after multivariate analysis (VG I: Acacia tortilis-Acacia ehrenbergiana, VG II: Acacia tortilis-Stipagrostis plumosa, VG III: Zygophyllum coccineum-Zygophyllum simplex, VG IV: Acacia raddiana-Lycium shawii-Anabasis setifera, VG V: Tamarix aucheriana-Juncus rigidus, VG VI: Capparis decidua-Zygophyllum simplex and VG VII: Avicennia marina-Aristida adscensionis) and ranged between halophytic vegetation on the coast to xerophytic vegetation with scattered Acacia trees inland. The dynamic results showed rapid, imbalanced variations arises between 3-land cover classes (areas as urban, vegetation and desert). However, these findings shall serve as the baseline data for the design of rehabilitation programs that conserve biodiversity in arid regions and form treasured resources for an urban planner and decision makers to device bearable usage of land and environmental planning.

Bacillus aryabhattai FACU: A promising bacterial strain capable of manipulate the glyphosate herbicide residues.

Glyphosate is a commonly used organophosphate herbicide that has an adverse impact on humans, mammals and soil microbial ecosystems. The redundant utilize of glyphosate to control weed growth cause the pollution of the soil environment by this chemical. The discharge of glyphosate in the agricultural drainage can also cause serious environmental damage and water pollution problems. Therefore, it is important to develop methods for enhancing glyphosate degradation in the soil through bioremediation. In this study, thirty bacterial isolates were selected from an agro-industrial zone located in Sadat City of Monufia Governorate, Egypt. The isolates were able to grow in LB medium supplemented with 7.2 mg/ml glyphosate. Ten isolates only had the ability to grow in a medium containing different concentrations of glyphosate (50, 100, 150, 200 and 250 mg/ml). The FACU3 bacterial isolate showed the highest CFU in the different concentrations of glyphosate. The FACU3 isolate was Gram-positive, spore-forming and rod-shape bacteria. Based on API 50 CHB/E medium kit, biochemical properties and 16S rRNA gene sequencing, the FACU3 isolate was identified as Bacillus aryabhattai. Different bioinformatics tools, including multiple sequence alignment (MSA), basic local alignment search tool (BLAST) and primer alignment, were used to design specific primers for goxB gene amplification and isolation. The goxB gene encodes FAD-dependent glyphosate oxidase enzyme that responsible for biodegradation process. The selected primers were successfully used to amplify the goxB gene from Bacillus aryabhattai FACU3. The results indicated that the Bacillus aryabhattai FACU3 can be utilized in glyphosate-contaminated environments for bioremediation. According to our knowledge, this is the first time to isolate of FAD-dependent glyphosate oxidase (goxB) gene from Bacillus aryabhattai.

Gene-targeted molecular phylogeny, phytochemical profiling, and antioxidant activity of nine species belonging to family Cactaceae.

Cactaceae plant family comprises over 130 genera and 2000 species of succulent flowering plants. The genera Mammillaria and Notocactus (Parodia), which have medicinal and nutritional applications as well as aesthetic appeal, are considered to be among the major genera of the family. Several species of both genera show morphological and chemical similarities and diversities according to environmental conditions and genotypes. Here, we assessed the genetic relationships of nine species belonging to two major genera Mammillaria and Notocactus under the family Cactaceae, using two modern gene-targeting marker techniques, the Start Codon Targeted (SCoT) Polymorphism and the Conserved DNA-Derived Polymorphism (CDDP). Besides, we screened the various phytochemicals and evaluated the antioxidant activities of the nine species of cacti. Five out of the 10 SCoT and eight CDDP primers used to screen genetic variations within the nine species yielded species-specific reproducible bands. The entire 156 loci were detected, of which 107 were polymorphic, 26 were monomorphic, and 23 were unique loci. The nine species were categorized into two groups based on the dendrogram and similarity matrix. Phytochemical profiling revealed that sterols, triterpenes, flavonoids, and tannins were found in all the tested species. Additionally, two Notocactus species (N. shlosserii and N. roseoluteus) and one Mammillaria species (M. spinosissima) revealed a considerable antioxidant activity. Our results demonstrated that gene-targeting marker techniques were highly powerful tools for the classification and characterization of the nine investigated species, despite displaying high similarities at both morphological and phytochemical levels.

Characterization, cloning, expression and bioassay of vip3 gene isolated from an Egyptian Bacillus thuringiensis against whiteflies.

Throughout the vegetative life of Bacillus thuringiensis, vegetative insecticidal proteins (Vip) are produced and secreted. In the present study, the vip3 gene isolated from Bacillus thuringiensis, an Egyptian isolate, was successfully amplified (2.4 kbp) and expressed using bacterial expression system. The molecular mass of the expressed protein was verified using SDS-PAGE and western blot analysis. Whiteflies were also screened for susceptibility to the expressed Vip3 protein (LC50). In addition, ST50 was determined to assess the kill speed of the expressed Vip3 protein against whiteflies compared to the whole vegetative proteins. The results showed that the potency of whole B. thuringiensis vegetative proteins against whiteflies was slightly higher than the expressed Vip3 protein with 4.7-fold based on LC50 value. However, the ST50 parameter showed no significant difference between both the B. thuringiensis vegetative proteins and the expressed Vip3 alone. The results showed that the vip3 gene was successfully expressed in an active form which showed high susceptibility to whiteflies based on the virulence parameters LC50 and ST50. To our knowledge, this study showed for the first time the high toxicity of the expressed Vip3 proteins of B. thuringiensis toward whiteflies as a hopeful and promising bio-control agent.

Molecular perspective and anticancer activity of medicinal plants.

To evaluate phytochemical constituents from the methanolic extracts of medicinal plants Aloe castellorum and Aloe pseudorubroviolacea. The cytotoxic activity of Aloe castellorum and Aloe pseudorubroviolacea leaf extracts against Human colon cancer cell line (HCT-116) was also assessed. The two medicinal plant extracts having significant cytotoxic activity, meanwhile the methanolic extract of Aloe castellorum shows higher cytotoxic activity than Aloe pseudorubroviolacea extract. The Aloe castellorum shows remarkable activity against respective cell line than control. The characteristic chemical constituents of Aloe castellorum and Aloe pseudorubroviolacea leaf extracts were recognized from Gas chromatography and Mass spectrometry (GC-MS) technique. The molecular docking studies also support the cytotoxic activity.

Effects of ozone on cell organelles of alfalfa (Medicago sativa L.) seedlings.

Seedlings of alfalfa (Medicago sativa L.) were exposed to different concentrations of atmospheric ozone (20-30 (control), 40-60, 65-80, and 85-120 ppb) in four distinct areas in the Riyadh region, so as to decide how ozone affected some of the seedling cellular organelles. Results acquired utilizing transmission electron microscopy demonstrated certifiable impacts to exist on the cell organelles in the tissues of both the leaf mesophyll and stem cortex; contrasted with control plants, the chloroplasts seemed enlarged, irregular, different sizes, decomposed, and possibly dissolved, while the plastoglobules seemed deformed, more widely spaced, and enlarged, also the vacuoles contained no clear non-living components. Moreover, some parts of the cytoplasmic membranes were ruptured, with only a few vesicles created at all concentrations, particularly in plants exposed to concentrations of 65-80 and 85-120 ppb, while no effects were noted in these organelles in control plants or plants exposed to 40-60 ppb. High concentrations (85-120 ppb) led to enlarged, irregularly shaped nuclei and chromatin intensification; however, no clear effects of ozone were noted on the shapes of chloroplast starch grains or the mitochondria in leaf mesophyll and cortex cells in the stem. The high ozone concentrations can cause negative effects on the growth of alfalfa seedlings, leading to imbalances in their vital functions and acceleration of aging, thus potentially decreasing the total plant yield. The discoveries hence propose that alfalfa plants should not be planted near polluted areas, and that they can be utilized as bioindicators of air pollution by ozone.

Ecology of endangered Prunus korshinskyi Hand.-Mazz. in Jabal Al-Lauz, Saudi Arabia: Plant associations, size structure, and nutritional screening.

The wild Prunus korshinskyi has a restricted distribution in small scattered areas of Jabal Al-Lauz (2580 m above sea level), a mountain in northwestern Saudi Arabia. Major objective of current study is to provide information about P. korshinskyi by analyzing its ecology in terms of floristic diversity, plant associations, environmental features, and its size structure and nutritional value. For this purpose, 12 stands of 20 m2 were selected along the Jabal Al-Lauz mountain ridge. Three plant associations and their environmental variables were identified and characterized after application of a two-way indicator species analysis (TWINSPAN), detrended correspondence analysis (DCA). And canonical correspondence analysis (CCA) as follows: VGI: P. korshinskyi-Astracantha echinus, VGII: Artemisia siberi-P. korshinskyi, and VGIII: Retama raetam-Artemisia sieberi. The edaphic factor affecting the distribution of the associations were pH, potassium and manganese content. The size class frequency distribution of P. korshinskyi shows a J-shape in spring and fall for the whole population; there was no regeneration via seed. Nutritional evaluation showed the fruits had a higher content of total carbohydrate, fats, crude protein, phosphorus, and potassium, and lower content of ash, Fe, Ca, Mn, Mg, and Zn than that in stems and leaves. This ecological knowledge gained through this study would be beneficial for managing and conserving of P. korshinskyi in a Jabal Al-Lauz area with its distinct and unique vegetation.

Piriformospora indica promotes cucumber tolerance against Root-knot nematode by modulating photosynthesis and innate responsive genes.

Root Knot Nematode (RKN, Meloidogyne incognita) is one of the greatest damaging soil pathogens causes severe yield losses in cucumber and many other economic crops. Here, we evaluated the potential antagonistic effect of the root mutualistic fungus Piriformospora indica against RKN and their impact on vegetative growth, yield, photosynthesis, endogenous salicylic acid (SA) and its responsive genes. Our results showed that P. indica dramatically decreased the damage on shoot and root architecture of cucumber plants, which consequently enhanced yield of infested plants. Likewise, P. indica colonization clearly improved the chlorophyll content and delimited the negative impact of RNK on photosynthesis. Moreover, P. indica colonization exhibited a significant reduction of different vital nematological parameters such as soil larva density, amount of eggs/eggmass, eggmasses, females and amount of galls at cucumber roots. Additionally, the results showed that SA level was significantly increased generally in the roots of all treatments especially in plants infested with RKN alone as compared to control. This suggests that P. indica promoting SA levels in host cucumber plant roots to antagonize the RKN and alleviate severity damages occurred in its roots. This higher levels of SA in cucumber roots was consistent with the higher expressional levels of SA pathway genes PR1 and PR3. Furthermore, P. indica colonization reduces PR1, PR3 and increased NPR1 in roots of RKN infested cucumber plants when compared to non-colonized plants. Interestingly, our in vitro results showed that direct application of P. indica suspension against the J2s exhibited a significant increase in mortality ratio. Our results collectively suggest that P. indica promoting morphological, physiological and SA levels that might together play a major important role to alleviate the adverse impact of RKN in cucumber.

Molecular identification and diversity analysis of dental bacteria in diabetic and non-diabetic females from Saudi Arabia.

Periodontal disease is a chronic infectious disease, which is characterized by the damaged dental hard tissue by lactic acid generated by microorganisms after the fermentation of carbohydrates rich diet. The risk of periodontal disease is known to be higher in diabetic patients. We compared the diversity of five commonly occurring dental bacteria including Porphyromonas gingivalis, Tannerella forsythia, Capnocytophaga ochracea, Prevotella intermedia, and Aggregatibacter actinomycetemcomitans in 14 type-2 diabetic patients and equal numbers of healthy controls. The subgingival samples were collected using sterile paper points. We used 16S rRNA sequence specific primers for PCR-based identification of dental bacteria. Our results showed that A. actinomycetemcomitans was completely absent in control subjects but present in 43% of diabetic patients. C. ochracea was highly prevalent in diabetic patients (100%) as compared to controls (28.5%). The frequency of other three bacterial species was also higher in diabetic patients than control subjects. These findings indicate that dental bacteria are highly prevalent in subgingival pockets of diabetic patients. Therefore, proper monitoring of diabetic patients for dental care is important to prevent bacterial growth and its sequela in risky individuals. Further case-control studies using larger sample size would help in validating the association between oral diseases and diabetes.

Isolation, characterization, cloning and bioinformatics analysis of a novel receptor from black cut worm (Agrotis ipsilon) of Bacillus thuringiensis vip 3Aa toxins.

Black cutworm (BCW) is an economically important lepidopteran insect. The control of this insect by a Bt toxin and the understanding of the interaction between the Bt toxin and its receptor molecule were the objectives of this research work. A gene coding for a Vip3A receptor molecule was identified, characterized, and cloned, from the brush border membrane vesicles (BBMV) of the BCW. The nucleotide sequence analysis of the cloned putative Vip3A-receptor gene revealed that the gene was 1.3-kb long and exhibited no homology with any gene in the gene bank. We succeeded in identifying and characterizing most of the Vip3A-receptor gene sequence; and the nucleotide sequence analysis of the cloned putative Vip3A-receptor gene (accession no. KX858809) revealed about 92% of the expected sequence was recovered, which exhibited no homology with any gene in the GenBank.

Cytotoxic, larvicidal, nematicidal, and antifeedant activities of piperidin-connected 2-thioxoimidazolidin-4-one derivatives.

The objective of this study was to investigate brine shrimp cytotoxicity, larvicidal, nematicidal, and antifeedant activities of novel piperidin-connected 2-thioxo-imidazolidin-4-one derivatives. The activities of target compounds were compared with some naturally occurring (-)-pinidinol, hydantocidin, and positive controls. Target compounds were synthesized via cyclocondensation method. The compounds were synthesized and then characterized by infrared spectroscopy, 1H NMR, 13C NMR, mass spectral, and elemental analyses. Brine shrimp cytotoxicity assay was investigated using freshly hatched, free-swimming nauplii of Artemiasalina. Larvicidal screening was performed against urban mosquito larvae (Culex quinquefasciatus). Nematicidal activity was evaluated using juvenile nematodes of Meloidogyne javanica. Regarding antifeedant activity, marine-acclimated Oreochromis mossambicus fingerlings were used. Compounds 3a-c (piperidin-connected 2-thioxoimidazolidin-4-one) were found to be lethal to the second instar larvae of mosquito, which produced LD50 values of 1.37, 6.66, 6.51 µg/mL, compared to compounds (-) pinidinol and hyantocidin LD50 values of 18.28 and 22.11 µg/mL respectively. Compound 3a-c was found to kill 100% of fish fingerlings within 6 h at 20 µg/mL, with LD50 values of 1.54, 1.79, 1.52 µg/mL, compared to compounds (-) pinidinol and hyantocidin with LD50 values of 10.21 and 21.05 µg/mL respectively. Compound 3c with LD50 value of 1.57 µg/mL demonstrated high nematicidal activity compared to compound 3a, 3b, (-) Pinidinol and Hyantocidin LD50 values of 6.45, 2.42, 14.25, 26.30 µg/mL respectively. Therefore, the 2-thioxoimidazolidin-4-one with piperidin ring showed high potential cytotoxic, larvicidal, nematicidal, and antifeedent activities.

Evaluation of antioxidant and anticancer activities of chemical constituents of the Saururus chinensis root extracts.

Evaluation of antioxidant and anticancer activities were screened by various Saururus chinensis root extracts. Four solvents (ethyl acetate, methanol, ethanol, and water) extracts were investigated for their total flavonoids, phenol contents and their antioxidant activity of DPPH (2,2-diphenyl-1-picrylhydrazyl), NO (nitric oxide), H2O2 (hydrogen peroxide), ABTS 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonicacid)diammonium assays, FRAP (ferric reducing ability of plasma) assays and anticancer activity. The total phenolic and flavonoid content of extracts were determined by using FC (Folin-Ciocalteu) and AlCl3 colorimetric assay method. Total flavonoid content in these plants ranged from 24.7 to 72.1 mg g-1 and amount of free phenolic compounds was between 11.2 and 67.1 mg g-1 extract. The all extracts have significant levels of phenolics and flavonoids content. Anticancer activity was screened for MCF-7 breast cancer cell line. Ethanol extract shows significant of antioxidant activity and water extract shows significant of anticancer activity compared with standard (BHT) butylated hydroxy toluene. These ethanol and water extracts could be considered as a natural source for using antioxidant, and anticancer agents compared to commercial available synthetic drugs.

Antimicrobial, anticoagulant, and cytotoxic evaluation of multidrug resistance of new 1,4-dihydropyridine derivatives.

A new series of 1,4-dihydropyridine derivatives (2a-h, 3a-e, and 4a-e) were systematically designed and synthesized via ultrasound irradiation methods with easy work-up and good yields. Compounds structures were confirmed by IR, 1H NMR, 13C NMR, and mass spectra. The synthesized compounds were screened for both antimicrobial and anticoagulant activities. Compound 2e (MIC: 0.25 µg/mL) was highly active against Escherichia coli and compound 2c (MIC: 0.5 µg/mL) was also highly active against Pseudomonas aeruginosa compared with ciprofloxacin. (MIC: 1 µg/mL) The antifungal activity of 2c (MIC: 0.5 µg/mL) against Candida albicans was high relative to that of clotrimazole (MIC: 1 µg/mL). Anticoagulant activity was determined by activated partial thromboplastin time (APTT) and prothrombin time (PT) coagulation assays. Compound 4-(4-hydroxyphenyl)-2,6-dimethyl-N3,N5-bis(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide 3d (>1000 s in APTT assays) was highly active in anticoagulant screening compared with the reference of heparin. Cytotoxicity was evaluated using HepG2 (liver), HeLa (cervical), and MCF-7 (breast) cancer cell lines, with high toxicities observed for 2c (GI50 = 0.02 µm) against HeLa cell line and 2e (GI50 = 0.03 µm) equipotant against MCF-7 cell line. Therefore, the compounds 2e, 2c and 3d can serve as lead molecules for the development of new classes of antimicrobial and anticoagulant agent.