Subjects -> CHEMISTRY (Total: 928 journals)
    - ANALYTICAL CHEMISTRY (59 journals)
    - CHEMISTRY (661 journals)
    - CRYSTALLOGRAPHY (23 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (47 journals)
    - PHYSICAL CHEMISTRY (65 journals)

CHEMISTRY (661 journals)                  1 2 3 4 | Last

Showing 1 - 200 of 735 Journals sorted alphabetically
Accounts of Materials Research     Hybrid Journal   (Followers: 7)
Accreditation and Quality Assurance: Journal for Quality, Comparability and Reliability in Chemical Measurement     Hybrid Journal   (Followers: 32)
ACS Applied Polymer Materials     Hybrid Journal   (Followers: 14)
ACS Catalysis     Hybrid Journal   (Followers: 56)
ACS Chemical Neuroscience     Hybrid Journal   (Followers: 26)
ACS Combinatorial Science     Hybrid Journal   (Followers: 13)
ACS Environmental Au     Open Access   (Followers: 10)
ACS Macro Letters     Hybrid Journal   (Followers: 29)
ACS Materials Letters     Open Access   (Followers: 7)
ACS Medicinal Chemistry Letters     Hybrid Journal   (Followers: 45)
ACS Nano     Hybrid Journal   (Followers: 211)
ACS Photonics     Hybrid Journal   (Followers: 16)
ACS Symposium Series     Full-text available via subscription   (Followers: 5)
ACS Synthetic Biology     Hybrid Journal   (Followers: 35)
Acta Chemica Malaysia     Open Access   (Followers: 2)
Acta Chimica Slovaca     Open Access   (Followers: 4)
Acta Chimica Slovenica     Open Access   (Followers: 4)
Acta Chromatographica     Full-text available via subscription   (Followers: 9)
Acta Metallurgica Sinica (English Letters)     Hybrid Journal   (Followers: 10)
Acta Scientifica Naturalis     Open Access   (Followers: 4)
adhäsion KLEBEN & DICHTEN     Hybrid Journal   (Followers: 9)
Adhesion Adhesives & Sealants     Hybrid Journal   (Followers: 12)
Adsorption Science & Technology     Open Access   (Followers: 9)
Advanced Electronic Materials     Hybrid Journal   (Followers: 12)
Advanced Functional Materials     Hybrid Journal   (Followers: 75)
Advanced Journal of Chemistry, Section A     Open Access   (Followers: 4)
Advanced Journal of Chemistry, Section B     Open Access   (Followers: 1)
Advanced Science Focus     Free   (Followers: 8)
Advanced Theory and Simulations     Hybrid Journal   (Followers: 4)
Advanced Therapeutics     Hybrid Journal   (Followers: 1)
Advances in Chemical Engineering and Science     Open Access   (Followers: 120)
Advances in Chemical Science     Open Access   (Followers: 52)
Advances in Chemistry     Open Access   (Followers: 37)
Advances in Chemistry     Full-text available via subscription   (Followers: 9)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 15)
Advances in Environmental Chemistry     Open Access   (Followers: 13)
Advances in Enzyme Research     Open Access   (Followers: 10)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 8)
Advances in Materials Physics and Chemistry     Open Access   (Followers: 34)
Advances in Nanoparticles     Open Access   (Followers: 17)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 18)
Advances in Polymer Science     Hybrid Journal   (Followers: 49)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 18)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 5)
Advances in Sample Preparation     Open Access   (Followers: 9)
Advances in Science and Technology     Full-text available via subscription   (Followers: 17)
Aerosol Science and Engineering     Hybrid Journal   (Followers: 2)
African Journal of Chemical Education     Open Access   (Followers: 6)
African Journal of Pure and Applied Chemistry     Open Access   (Followers: 6)
Aggregate     Open Access   (Followers: 1)
Agrokémia és Talajtan     Full-text available via subscription   (Followers: 2)
Al-Kimia : Jurnal Penelitian Sains Kimia     Open Access  
Alchemy : Journal of Chemistry     Open Access   (Followers: 2)
Alchemy : Jurnal Penelitian Kimia     Open Access  
Alfarama Journal of Basic & Applied Sciences     Open Access   (Followers: 3)
Alotrop     Open Access  
AMB Express     Open Access   (Followers: 1)
Ambix     Hybrid Journal   (Followers: 3)
American Journal of Biochemistry and Biotechnology     Open Access   (Followers: 45)
American Journal of Biochemistry and Molecular Biology     Open Access   (Followers: 21)
American Journal of Chemistry     Open Access   (Followers: 37)
American Journal of Plant Physiology     Open Access   (Followers: 9)
Analyst     Hybrid Journal   (Followers: 35)
Analytical Science Advances     Open Access   (Followers: 1)
Angewandte Chemie     Hybrid Journal   (Followers: 168)
Angewandte Chemie International Edition     Hybrid Journal   (Followers: 268)
Annales Universitatis Mariae Curie-Sklodowska, sectio AA – Chemia     Open Access   (Followers: 1)
Annals of Clinical Chemistry and Laboratory Medicine     Open Access   (Followers: 6)
Annual Reports in Computational Chemistry     Full-text available via subscription   (Followers: 4)
Annual Reports Section A (Inorganic Chemistry)     Full-text available via subscription   (Followers: 5)
Annual Review of Chemical and Biomolecular Engineering     Full-text available via subscription   (Followers: 14)
Annual Review of Food Science and Technology     Full-text available via subscription   (Followers: 13)
Antiviral Chemistry and Chemotherapy     Open Access   (Followers: 1)
Applied Organometallic Chemistry     Hybrid Journal   (Followers: 7)
Applied Spectroscopy     Full-text available via subscription   (Followers: 20)
Applied Surface Science     Hybrid Journal   (Followers: 31)
Arabian Journal of Chemistry     Open Access   (Followers: 4)
ARKIVOC     Open Access   (Followers: 1)
Asian Journal of Applied Chemistry Research     Open Access   (Followers: 1)
Asian Journal of Biochemistry     Open Access   (Followers: 2)
Asian Journal of Chemical Sciences     Open Access   (Followers: 1)
Asian Journal of Chemistry and Pharmaceutical Sciences     Open Access  
Asian Journal of Physical and Chemical Sciences     Open Access   (Followers: 2)
Australian Journal of Chemistry     Hybrid Journal   (Followers: 8)
Autophagy     Hybrid Journal   (Followers: 8)
Biochemical Pharmacology     Hybrid Journal   (Followers: 10)
Biochemistry     Hybrid Journal   (Followers: 239)
Biochemistry Insights     Open Access   (Followers: 6)
Biochemistry Research International     Open Access   (Followers: 5)
BioChip Journal     Hybrid Journal  
Bioinorganic Chemistry and Applications     Open Access   (Followers: 5)
Biointerface Research in Applied Chemistry     Open Access  
Biointerphases     Open Access   (Followers: 1)
Biology, Medicine, & Natural Product Chemistry     Open Access   (Followers: 2)
Biomacromolecules     Hybrid Journal   (Followers: 24)
Biomass Conversion and Biorefinery     Partially Free   (Followers: 10)
Biomedical Chromatography     Hybrid Journal   (Followers: 6)
Biomolecular NMR Assignments     Hybrid Journal   (Followers: 3)
BioNanoScience     Partially Free   (Followers: 3)
Bioorganic & Medicinal Chemistry     Hybrid Journal   (Followers: 84)
Bioorganic & Medicinal Chemistry Letters     Hybrid Journal   (Followers: 61)
Bioorganic Chemistry     Hybrid Journal   (Followers: 7)
Biopolymers     Hybrid Journal   (Followers: 15)
Biosensors     Open Access   (Followers: 3)
Biotechnic and Histochemistry     Hybrid Journal   (Followers: 3)
Bitácora Digital     Open Access  
Boletin de la Sociedad Chilena de Quimica     Open Access  
Bulletin of Institute of Chemistry and Chemical Technology, Mongolian Academy of Sciences     Open Access  
Bulletin of the Chemical Society of Ethiopia     Open Access   (Followers: 1)
Bulletin of the Chemical Society of Japan     Full-text available via subscription   (Followers: 25)
Bulletin of the Korean Chemical Society     Hybrid Journal   (Followers: 1)
C - Journal of Carbon Research     Open Access   (Followers: 5)
Cakra Kimia (Indonesian E-Journal of Applied Chemistry)     Open Access  
Canadian Association of Radiologists Journal     Full-text available via subscription   (Followers: 1)
Canadian Journal of Chemistry     Hybrid Journal   (Followers: 11)
Canadian Mineralogist     Full-text available via subscription   (Followers: 5)
Carbohydrate Polymer Technologies and Applications     Open Access  
Carbohydrate Polymers     Hybrid Journal   (Followers: 11)
Carbohydrate Research     Hybrid Journal   (Followers: 23)
Carbon     Hybrid Journal   (Followers: 64)
Carbon Capture Science & Technology     Open Access   (Followers: 1)
Carbon Trends     Open Access   (Followers: 7)
Catalysis Reviews: Science and Engineering     Hybrid Journal   (Followers: 9)
Catalysis Science and Technology     Hybrid Journal   (Followers: 10)
Catalysis Surveys from Asia     Hybrid Journal   (Followers: 4)
Catalysts     Open Access   (Followers: 12)
Cell Reports Physical Science     Open Access  
Cellulose     Hybrid Journal   (Followers: 8)
Cereal Chemistry     Full-text available via subscription   (Followers: 4)
Chem     Hybrid Journal   (Followers: 6)
Chem Catalysis     Hybrid Journal   (Followers: 1)
ChemBioEng Reviews     Full-text available via subscription   (Followers: 3)
ChemCatChem     Hybrid Journal   (Followers: 8)
Chemical and Engineering News     Free   (Followers: 22)
Chemical Bulletin of Kazakh National University     Open Access  
Chemical Communications     Hybrid Journal   (Followers: 83)
Chemical Engineering Research and Design     Hybrid Journal   (Followers: 27)
Chemical Physics Impact     Full-text available via subscription  
Chemical Research in Chinese Universities     Hybrid Journal   (Followers: 4)
Chemical Research in Toxicology     Hybrid Journal   (Followers: 22)
Chemical Reviews     Hybrid Journal   (Followers: 206)
Chemical Science     Open Access   (Followers: 43)
Chemical Science International Journal     Open Access  
Chemical Technology     Open Access   (Followers: 75)
Chemical Thermodynamics and Thermal Analysis     Open Access   (Followers: 3)
Chemical Vapor Deposition     Hybrid Journal   (Followers: 4)
Chemie in Unserer Zeit     Hybrid Journal   (Followers: 39)
Chemie-Ingenieur-Technik (Cit)     Hybrid Journal   (Followers: 18)
ChemInform     Hybrid Journal   (Followers: 5)
Chemistry     Open Access  
Chemistry & Biodiversity     Hybrid Journal   (Followers: 7)
Chemistry & Industry     Full-text available via subscription   (Followers: 6)
Chemistry - A European Journal     Hybrid Journal   (Followers: 133)
Chemistry - An Asian Journal     Hybrid Journal   (Followers: 20)
Chemistry Africa : A Journal of the Tunisian Chemical Society     Hybrid Journal  
Chemistry and Materials Research     Open Access   (Followers: 18)
Chemistry Central Journal     Open Access   (Followers: 4)
Chemistry Education Research and Practice     Free   (Followers: 6)
Chemistry Education Review     Open Access   (Followers: 1)
Chemistry in Education     Open Access   (Followers: 4)
Chemistry Letters     Full-text available via subscription   (Followers: 43)
Chemistry of Heterocyclic Compounds     Hybrid Journal   (Followers: 5)
Chemistry of Materials     Hybrid Journal   (Followers: 181)
Chemistry of Natural Compounds     Hybrid Journal   (Followers: 10)
Chemistry World     Hybrid Journal   (Followers: 20)
Chemistry-Didactics-Ecology-Metrology     Open Access  
ChemistryOpen     Open Access   (Followers: 1)
ChemistrySelect     Hybrid Journal  
Chemistry–Methods     Open Access   (Followers: 3)
Chemkon - Chemie Konkret, Forum Fuer Unterricht Und Didaktik     Hybrid Journal  
ChemNanoMat     Hybrid Journal   (Followers: 1)
Chemoecology     Hybrid Journal   (Followers: 2)
Chemometrics and Intelligent Laboratory Systems     Hybrid Journal   (Followers: 13)
Chemosensors     Open Access   (Followers: 1)
ChemPhotoChem     Hybrid Journal  
ChemPhysChem     Hybrid Journal   (Followers: 12)
ChemPhysMater     Full-text available via subscription  
ChemPlusChem     Hybrid Journal   (Followers: 2)
Chempublish Journal     Open Access  
ChemSystemsChem     Hybrid Journal   (Followers: 1)
ChemTexts     Hybrid Journal   (Followers: 1)
CHIMIA International Journal for Chemistry     Open Access   (Followers: 2)
Chinese Journal of Chemistry     Hybrid Journal   (Followers: 6)
Chinese Journal of Polymer Science     Hybrid Journal   (Followers: 9)
Chromatographia     Hybrid Journal   (Followers: 21)
Chromatography     Open Access   (Followers: 3)
Chromatography Research International     Open Access   (Followers: 4)
Ciencia     Open Access  
Clay Minerals     Hybrid Journal   (Followers: 9)
Cogent Chemistry     Open Access   (Followers: 3)
Colloid and Interface Science Communications     Open Access  
Colloid and Polymer Science     Hybrid Journal   (Followers: 6)
Colloids and Interfaces     Open Access  
Colloids and Surfaces B: Biointerfaces     Hybrid Journal   (Followers: 8)
Combinatorial Chemistry & High Throughput Screening     Hybrid Journal   (Followers: 2)
Combustion Science and Technology     Hybrid Journal   (Followers: 26)
Comments on Inorganic Chemistry: A Journal of Critical Discussion of the Current Literature     Hybrid Journal   (Followers: 1)
Communications Chemistry     Open Access   (Followers: 2)
Communications Materials     Open Access  
Composite Interfaces     Hybrid Journal   (Followers: 6)

        1 2 3 4 | Last

Similar Journals
Journal Cover
Advanced Journal of Chemistry, Section A
Number of Followers: 4  

  This is an Open Access Journal Open Access journal
ISSN (Print) 2645-7768 - ISSN (Online) 2645-5676
Published by Sami Publishing Company Homepage  [3 journals]
  • Theoretical Investigations on Thiadiazole Derivatives as Corrosion
           Inhibitors on Mild Steel

    • Abstract: Experimental methods have been employed to elucidate the corrosion inhibition mechanism, but they are often expensive and time-consuming, necessitating the search for more alternatives. The development of computer hardware and software engineering has allowed the effective use of theoretical modeling tools that successfully correlate the inhibition efficiency of the inhibitors with their molecular structure and properties. In this study, computational methods were used to further explain the mode and mechanism of the thiadiazoles inhibition on Fe surface whose studies were reported in the literature as Thiadiazoles-A potential class of heterocyclic inhibitors for prevention of mild steel corrosion in hydrochloric acid solution. Parameters including quantum chemical through DFT and molecular dynamic simulations of studied molecules on Fe surfaces were performed. Results obtained by calculating these thiadiazoles' adsorption or binding energies were in good agreement with the experimentally reported results elsewhere. Concerning the calculated adsorption or binding energies, their relatively low values inferred that the compounds are weakly adsorbed onto the surface of Fe through Van der Waals forces and therefore obey the mechanism of physical adsorption. Fukui indices values revealed that the active sites were found to be located on the molecules heteroatoms (Sulphur and Nitrogen). It was also established that the reference molecule thiadiazole (TDA) was the least adsorbed when compared to the other four molecules of its derivatives. The order of the inhibition efficiency as determined is as follows: PAT > EAT > MAT > AT > TDA
  • Inhibitory Activity of Natural Flavonoids against Protein Aggregation in
           Alzheimer's disease: A Computational Simulation Study

    • Abstract: In this study, the prevention mechanism of chrysin, datiscetin, naringenin, and wogonin against Aβ peptide and tau protein aggregation was investigated using computational simulation methods. According to the molecular docking data, minor differences in the chemical structures of candidate compounds do not result in significant differences in docking binding energy. Instead, the ligand binding site and residue contact degree appear to have played a more significant role. Naringenin showed the highest affinity for tau protein due to its different binding site. Because of more residue contacts, chrysin and datiscetin also had a higher amyloid binding affinity. The secondary structure analysis of amyloid β revealed a significant loss of α-helix content in all systems studied with the formation of turns and random coils, which is most in the presence of wogonin. In all tau-ligand systems, the percentage of the coil decreased. In contrast, the turn percentage increased, indicating that the selected compounds can prevent the aggregation of AD-related receptors.
  • Effect of Nanoparticles on the Degradation, Ageing and other Properties of
           Ester-based Nanofluids

    • Abstract: Vegetable-based natural esters serve the dual purpose of insulating and cooling electrical transformers as a natural alternative to conventional mineral oils. The factory-functionalized SiO2 nanoparticles were dispersed into purified cotton seed oil methyl ester to produce a nanofluid with excellent electrical and thermal properties. A dispersion method was used to prepare the nanofluids with 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, and 0.8 wt. % nanoparticles into the ester at 0.1 wt. % increments. Scanning electron microscopy (SEM) coupled with electron dispersive X-ray (EDX) analysis was performed on the nanoparticles to determine their morphology and elemental composition. This study compares the results of testing samples of mineral oil, ester, and SiO2-based nanofluids before and after aging to determine their water content, flash point, pour point, dynamic viscosity, density, dielectric loss, permittivity, and breakdown strength. The results showed that CNF5 (Ester + 0.5 wt. % SiO2) performs better even after the samples have aged, owing to the addition of 0.8 wt. % SiO2 nanoparticles. CNF5 outperformed the other samples of nanofluid in terms of both thermal and dielectric properties. For CNF5, it was observed that the breakdown voltage, flash point, dynamic viscosity, tan delta, pour point, and water content decreased after ageing. It was also found that the cottonseed oil-based nanofluid improved the electrical and thermal properties more than mineral oil as nanoparticles were added to the samples.
  • Theoretical Investigation and Design of Novel Anti-proliferative Agents
           against Hepatocellular Carcinoma from Benzimidazole-Chalcone derivatives

    • Abstract: Hepatocellular carcinoma is recognized as a major cause of cancer-related deaths worldwide and has been a healthcare burden globally. In the search for novel chemotherapeutic agents for treating this disease, a set of benzimidazole-chalcone derivatives with proven inhibitory activities against HepG2 cancer cell line were subjected to QSAR modeling. Structural optimization of the most active derivatives guided by the dominant descriptors in the validated model (R2 = 0.93, R2Adj = 0.92, Q2LOO = 0.91, R2Pred = 0.81) led to the design of more potent analogs; H-1, H-2, and H-3, with predicted IC50 values of 26.07µM, 43.38µM, and 178.69 µM, respectively. Molecular docking simulations of these novel ligands against the active sites of epidermal growth factor receptor (EGFR) protein target recorded binding energy values of -8.4, -8.9, and -8.1 for H-1, H-2, and H-3, respectively. These values are better compared to -7.6 kcal/mol recorded for Doxorubicin, a standard drug for managing liver cancer used herein for quality assurance. Also, ADMET evaluation of the designed drug candidates reveals that they possess excellent pharmacokinetic and toxicity profiles. It is envisaged that the wealth of information obtainable from this work could help to discover and develop novel chemotherapeutic agents for treating systemic and early-stage hepatocellular carcinoma.
  • Quinazoline Derivatives as Corrosion Inhibitors on Aluminium Metal
           Surface: A Theoretical Study

    • Abstract: Quantum chemical calculations and molecular dynamics simulation techniques were used to assess the corrosion inhibition potential of the compound qiunazoline (QZN) and two of its derivatives, 6-chloro-4-imino-3-phenyl-3,4-dihydro-1H qiunazoline-2-thione (QZT) and 6-chloro-4-imino-3-phenyl-3,4-dihydro-1H qiunazoline-2-one (QZO). The values of the quantum chemical parameters EHOMO, ELUMO, energy gap (∆E), the energy of back donation (∆Eb-d), dipole moment (μ), electronegativity (χ), global hardness (η), global electrophilicity index (ω), nucleophilicity (ε) and others were determined. The quantum chemical parameters calculated revealed that QZO is relatively more nucleophilic in nature and potentially a better inhibitor. The Fukui indices values discovered that the hetero atoms (N, O and S) of the studied compounds are responsible for their inhibitive characteristics. According to the calculated binding and adsorption energies obtained from the quenched molecular dynamic simulations, the relatively low values obtained of less than 100 kcal/mol results in the molecules being weakly adsorbed onto the surface of Al(1 1 0) through van der Waals forces and consequently obey the physical adsorption mechanism in the order: QZO>QZT> QZN. The examined molecules' varied bond lengths and angles before and after adsorption on the Al(1 1 0) surface demonstrate the nature of adsorption and the molecules' non-planarity on the surface of the metal. QZO and QZT have larger molecular sizes and additional hetero atoms (O and S), making them possibly more corrosion-inhibitive on Al(1 1 0) surfaces than QZN.
  • Treatment of Tire Industry Wastewater through Adsorption Process using
           Waste Tire Rubber

    • Abstract: Attempts to use waster rubber powder as an adsorbent of pollutants in wastewater treatment applications is an environmentally friendly, efficient and novel method, especially in the tire industry wastewater treatment process. This study evaluated the efficiency of waste tire rubber powder in adsorbing the tire industry wastewater. The rubber and The wastewater were prepared from Kavir Qom Co. and Artawheel Tire Co., respectively. Comparison of UV-vis spectrophotometer results of the nontreated wastewater with the wastewater data after adsorption under various thermal and temporal conditions indicated that the tire powder adsorbent has the necessary efficiency for treating the tire industry wastewater. Examination of data with pseudo-first- and second-order kinetic models also confirmed the adsorbent’s efficiency and showed that the second-order kinetic model had a good correspondence with the obtained results.
  • Microbial Iron Chelators: A Possible Adjuncts for Therapeutic Treatment of
           SARS-CoV-2 like Viruses

    • Abstract: There is a need for targeted, effective antiviral therapeutic treatment for the global threat of COVID-19, like viral pandemics. Our efforts in this direction present the in-silico testing of a hypothesis through molecular docking. We have demonstrated the possibility of a microbial siderophore desferrioxamine-E produced by Pseudomonas stutzeri SGM-1 for effective drug targeting and drug development against SARS-CoV-2, like viruses. Iron homeostasis and COVID-19 have a close relationship. An iron chelator desferrioxamine-E binding with the SARS-CoV-2 virus can inhibit the viral RNA binding and packaging into the new virions inside the host cell. The well-known efficacy of iron chelation and RNA binding domain of SARS-CoV-2 nucleocapsid interaction of desferrioxamine-E studied through molecular docking has promising potential for exploring microbial iron chelators as adjuncts for in-silico clinical trials and randomized clinical trials.
  • A 2-D QSAR Modeling, Molecular Docking Study and Design of
           2-Arylbenzimidazole Derivatives as Novel Leishmania Inhibitors: A
           Molecular Dynamics Study

    • Abstract: Leishmaniasis, a neglected tropical disease, affects a human population of over 12 million people, mainly in the tropics, and is caused by the leishmanial parasites transmitted by the female sand fly. The lack of vaccines to prevent leishmaniasis, and the limitations of existing therapies necessitated this study, which was focused on the computational design of some novel 2-arylbenzimidazole analogs while subjecting the same to molecular docking, pharmacokinetics, and Molecular Dynamic (MD) simulation to ascertain their drug-ability. The obtained QSAR model was validated as follows: R2 = 0.8447, R2adj = 0.8095, Q2cv = 0.6799, and R2test = 0.7383. The predicted pIC50 values of all newly designed compounds were higher than that of the lead compound (13). The newly designed analogs conformed to Lipinski's rule for oral bio-availability less 13m, and showed good ADMET properties, with 13j showing the highest Human Intestinal Absorption (HIA) of 93.64%. The MD simulation result demonstrated excellent stability associated with the binding of 13j onto 6K91's binding pocket with an estimated ∆G binding (MM/GBSA) of -50.4031 kcal/mol than that of 13_6K91 (∆G binding = -25.9665 kcal/mol). Therefore, 13j could be recommended as a potential drug molecule for treating leishmanial infections. 
  • Perspective on Metal-Ligand Coordination Complexes and Improvement of
           Current Drugs for Neurodegenerative Diseases (NDDs)

    • Abstract: Neurodegenerative diseases (NDDs) associated with the steady loss of neural functionality by the action of irreversible damage or death of neurons are one the most serious diseases amongst human beings. The most common NDDs are including Alzheimer’s disease, Prion protein disease, and Parkinson’s disorder. Several coordination complexes are effective in the treatment of NDDs. In the present scenario, computational methods opened a new vista for novel drugs with theoretically improved overall effectiveness. This review highlights the current trends of computational designs of coordination complexes in developing new drug discovery options and their potential to treat different neurodegenerative diseases with up-to-date R&D exploration with future perspectives.

  •        (S)-N-(4-Carbamoylphenyl)-8-Cyclopropyl-7-(Naphthalen-1-ylmethyl)-5-Oxo-2,3-Dihydro-5H-Thiazolo[3,2-a]Pyridine-3-Carboxamide,
           A Better Inhibitor of SARS-Cov-2 Spike Glycoprotein Than Some Standard
           Drugs: A Computational Prediction

    • Abstract: The appearance of severe acute respiratory syndrome coronavirus 2 (COVID-19) is at its peak; with the growing number of people infected with COVID-19, there is an urgent need to find effective treatments for this outbreak. The current situation appears to call for drug repurposing. In our hunt for a viable medication against this virus, we used an in-silico strategy to test four conventional medicines, including Ritonavir and Hydroxychloroquine, against the spike glycoprotein of COVID-19. A docking simulation was performed to assess the drug's binding affinity. We discovered a single medication compound 36 against SARS-coronavirus spike glycoprotein. The compound was found to have a strong binding affinity against the target protein. The chemical was discovered to have a high affinity for the target protein. Furthermore, no conventional medicines efficiently bonded to the SARS-coronavirus spike glycoprotein. The current investigation concluded that the compound 36 is a highly stable anti-SARS-coronavirus spike glycoprotein medication. Furthermore, none of the standard drugs had a high affinity for the SARS-coronavirus spike glycoprotein binding site. 
  • Production of Methyl Ester from Used Cottonseed Oil Optimized Using Box
           Behnken Design Approach

    • Abstract: Worldwide interest in biofuels, such as biodiesel and biogas as alternatives to fossil fuels, is growing. The transesterification method is usually applied in the production processes of biodiesel because of its numerous advantages. The viscosity of the oil sample was decreased by utilizing this technique. The production procedure of methyl ester is determined by the amount of free fatty acids (FFA) in the sample. The titration technique was employed to evaluate this for the crude cottonseed oil (CCSO) and used cottonseed oil (UCSO), with the following results: 0.56 % and 1.26 %. Heterogeneous alkali (calcined commercial CaO) catalyzed transesterification was used to convert UCSO into used cottonseed oil methyl ester (UCSOME). It involves the reaction of methanol with UCSO in the presence of the catalysts. Some of the reaction parameters that control the transesterification process were; the methanol-oil ratio, reaction temperature, reaction time, and catalyst concentration. The aforementioned parameters were optimized through the response surface approach; Box-Behnken Design (BBD). The response surface yield has been plotted graphically as part of the various parameters that improve biodiesel yield. An optimized UCSOME yield of 93.60 % was obtained at a 1:10 molar ratio, 2.5 wt.% catalyst concentration, 80-min reaction time, and 60 °C reaction temperature. 94.50 % was the experimental yield obtained based on these parameters, which shows that the response surface methodology is a successful technique for optimizing the yield. The purity of the methyl ester was determined using GC-MS and FTIR.
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
Tel: +00 44 (0)131 4513762

Your IP address:
Home (Search)
About JournalTOCs
News (blog, publications)
JournalTOCs on Twitter   JournalTOCs on Facebook

JournalTOCs © 2009-