Drug designing

The need for intelligent and effective treatment of diseases and the increase in drug design costs have raised drug repurposing as one of the effective strategies in biomedicine. There are various computational methods for drug repurposing, one of which is using transcription signatures, especially single-cell RNA sequencing (scRNAseq) data, which show us a clear and comprehensive view of the inside of the cell to compare the state of disease and health.

11p vishanshan 27-06-2024 1 1   Download

The present research was designated to investigate the potential of ZnONP nanocomposites as a cancer chemotherapeutic-based drug delivery system and to assess the anti-tumor and anti-inflammatory effectiveness of ZnONP nanocomposites combination with systemic chemotherapeutic drugs doxorubicin (DOX) and folic acid (FA) in Ehrlich ascites carcinoma (EAC) tumor cell line both in vitro and in vivo.

16p vishanshan 27-06-2024 2 1   Download

Traditional nanodrug delivery systems have some limitations, such as eliciting immune responses and inaccuracy in targeting tumor microenvironments. Targeted drugs (Sorafenib, Sora) nanometers (hollow mesoporous silicon, HMSN) were designed, and then coated with platelet membranes to form aPD-1-PLTM-HMSNs@Sora to enhance the precision of drug delivery systems to the tumor microenvironment, so that more effective immunotherapy was achieved.

12p vikoch 27-06-2024 1 1   Download

Predicting tumor responses to neoadjuvant chemotherapy (NAC) is critical for evaluating prognosis and designing treatment strategies for patients with breast cancer; however, there are no reliable biomarkers that can effectively assess tumor responses. Therefore, we aimed to evaluate the clinical feasibility of using extracellular vesicles (EVs) to predict tumor response after NAC.

12p vikoch 27-06-2024 1 1   Download

This volume provides current methods to analyze the properties of designer receptors exclusively activated by designer drugs (DREADDs) in vitro and to measure the biological responses of DREADD activation in different neuronal populations in vivo. Chapters focus on the utility of DREADD technology to selectively stimulate or inhibit neuronal activity in selected brain areas of transgenic mice.

175p vimeyers 29-05-2024 3 2   Download

This book focuses on different techniques of asymmetric synthesis of important compounds, such as drugs and natural products. It gives insightful information on recent asymmetric synthesis by Inorganic, Organic and Enzymatic combinations. It also emphasizes chiral compounds and design of new catalyst for synthesis of compounds.

509p vimeyers 29-05-2024 5 2   Download

Ebook Interpretation of MS–MS mass spectra of drugs and pesticides includes the following main contents: Provides a general discussion on the fragmentation of even-electron ions (protonated and deprotonated molecules) in both positive-ion and negative-ion modes; This is the reference book for the interpretation of MS–MS mass spectra of small organic molecules; Covers related therapeutic classes of compounds such as drugs for cardiovascular diseases, psychotropic compounds, drugs of abuse and designer drugs, antimicrobials, among many others.

405p vimeyers 29-05-2024 4 2   Download

Building on the success of the previous editions, the Textbook of drug design and discovery, has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The information is presented in an up-to-date review form with an underlying and fundamental focus on the educational aspects.

451p vimeyers 29-05-2024 3 2   Download

The medicinal chemist’s guide to solving ADMET challenges summarizes a series of design strategies and tactics that have been successfully employed across pharmaceutical and academic laboratories to solve common ADMET issues. These are exemplified with a curated collection of concrete examples displayed in a highly visual “table-of-contents” style format, allowing readers to rapidly identify the most promising approaches applicable to their own challenges.

540p vimeyers 29-05-2024 2 2   Download

This study aimed to design a nanocarrier system for the efficient delivery of poorly soluble drugs in cancer treatment. Nanogel systems were prepared from copolymers of Heparin and different Pluronics, in which the Hep-Plu conjugates were formed via disulfide bridges of cystamine molecules. The obtained Hep-Plu systems were proved and characterized using specific techniques including H-NMR, zeta potential, DLS and FT-IR.

8p dianmotminh02 03-05-2024 3 1   Download

The outcomes are to be compared with typical drugs given that compounds are examined against gram-positive and gram-negative strains of bacteria and fungus. Against bacterial strains, products with nitro, methyl, and bromo substituents in the p-position of the benzene ring, as well as products with the nitro group at the m-position, showed very excellent activities against bacterial strains, while compounds with chloro substituent at p-position and m-position demonstrated good activity against the fungal strains Aspergillus niger and Fusarium javanicum.

8p dianmotminh02 03-05-2024 2 1   Download

As a new work searching potential bioactive hybrid derivatives for drug design, where 3-aryl-2-mercaptoquinazolin-4(3H)-one scaffold is incorporated in specific coumarin moiety with or without bearing acetamide group, the synthesis and structure of new hybrid compounds were reported.

6p dianmotminh02 03-05-2024 2 1   Download

This study revealed that the major contributing descriptors of 2D QSAR studies are DeltaEpsilonB and DeltaPsiA and 3D QSAR model proves the steric as well as electrostatic effects determine the binding affinity for the drug development. The results of the current computational studies are useful for further designing novel chemical entities of anti-microbial agent.

19p dianmotminh02 03-05-2024 5 2   Download

Ebook "Proteomics and protein-protein interactions: Biology, chemistry, bioinformatics, and drug design" attempts to bridge the two extreme ends of protein science: on one end, systems proteomics, which describes, at a system level, the intricate connection network that proteins form in a cell, and on the other end, protein chemistry and biophysics, which describe the molecular properties of individual proteins and the structural and thermodynamic basis of their interactions within the network.

325p ladongphongthanh1008 22-04-2024 5 2   Download

Ebook "Fluorescent organic nanoparticles: New generation materials with diverse analytical and biomedical applications" provides a critical review of recent advances in the development of fluorescent organic nanoparticles as materials of choice for the design and fabrication of sensors, bioimaging agents and drug delivery systems. The properties and functions of nanoparticles differ significantly from those of their parent entities or their bulk phases.

72p tracanhphuonghoa1007 22-04-2024 5 2   Download

Ebook "Targeting protein-protein interactions by small molecules" comprehensively reviews the state-of-the-art strategies developed for protein-protein interaction (PPI) inhibitors, and highlights the success stories in new drug discovery and development. Consisting of two parts with twelve chapters, it demonstrates the design strategies and case studies of small molecule PPI inhibitors. The first part discusses various discovery strategies for small molecule PPI inhibitors, such as high throughput screening, hot spot-based design, computational approaches, and fragment-based design.

332p tracanhphuonghoa1007 22-04-2024 4 2   Download

Ebook "Antibacterials (Volume I)" covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions on the molecular level,...

203p tracanhphuonghoa1007 22-04-2024 3 2   Download

Ebook "Small molecule therapeutics for schizophrenia" covers all relevant aspects of drug research, e.g.

327p tracanhphuonghoa1007 22-04-2024 3 3   Download

Part 2 book "Aspen plus® - Chemical engineering applications" includes content: Heat exchanger (H.E.) design, electrolytes, polymerization processes, characterization of drug like molecules using aspen properties, solids handling, aspen plus® dynamics, safety and energy aspects of chemical processes, aspen process economic analyzer, term projects.

338p muasambanhan10 11-04-2024 5 1   Download

Part 2 book "Pharmaceutical design and development" includes content: Rational design of drugs based on molecular structure, nucleic acid therapies, transgenic animal models, diagnostic applications of biotechnology, future prospects.

104p muasambanhan10 03-04-2024 3 2   Download