Drug Discovery Chemistry is on Oct 23 2023 at Stransbourg

Scientific Program

Drug Discovery Chemistry will be organized around the theme Exploring the advancements of Future Drug Discovery Research

drug-discovery-2023 is compromised of 18 tracks and 81 sessions designed to offer comprehensive sessions that address current issues in drug-discovery-2023

Submit your abstract to any of the mentioned tracks. All related abstracts are accepted.

Drug Discovery

This research topic aims to publish data on recent advances in early drug discovery against emerging/neglected tropical diseases, including parasitic, bacterial, viral, and fungal infections. Here we collect valuable insights related to the development of new experimental approaches, the identification of novel therapeutic strategies, and the mechanism of action of classical or novel antibacterial agents. Over the past 40 years, the complexity of drug development has multiplied, necessitating the preclinical stage of drug research, an investigational new drug (IND) application, and extensive clinical testing before FDA marketing clearance. Successful drug discovery is like finding a safe and effective oasis in a chemical and biological desert. Analyzes based on the drug development approach show that the discoverability of suitable candidates is highly sensitive to the validity of predictions, as deserts are large and oases are small. Especially since drug development is very difficult to measure late in the process before the project succeeds or fails.

Discovery & Development

Preclinical research

Drug development process

Market monitoring

Drug Screening

The search for new medicines is a challenging process that is nevertheless gratifying. Drug discovery Chemistry research makes it possible. The first step in the procedure is to identify a condition or a therapeutic field with an unmet need. A "druggable" target is identified, and drug screening then begins in the process of Drug discovery. Molecules that can interact with the target and/or support the intended phenotypic response are found during drug screening. Additionally, professional athletes occasionally utilize performance-enhancing medications like HGH and steroids, which can be found during a drug test. The treatment of complex diseases such as cancer, cardiovascular disease, diabetes, and neuropathy often justifies the use of drug combinations for therapeutic intervention. However, identifying successful drug cocktails is not a trivial task and is hampered by a lack of standardization in terminology, experimental protocols and models, and data analysis that followed in drug development.

Target identification

Target validation and Lead Identification

Lead optimization

Preclinical safety

Clinical Trials in Drug discovery

Today, people are living longer because of the success of cancer treatments that were the result of previous clinical trials. Through clinical trials and drug discovery, doctors determine whether new treatments are safe, effective, and better than current treatments. Participating in clinical trials broadens our knowledge about cancer and helps improve cancer care for future patients. In this way, clinical trials play a major role in the drug development and Drug Design process. Helps improve treatment. Clinical trials are key to advancing the fight against cancer. In today's global scientific age, clinical trials and drug Discovery are essential to bringing newer and better medicines to market. Clinical trials test potential treatments on human volunteers (subjects) to determine whether they should be approved for wider use in the general population. For the future of better healthcare, Clinical Trials are important.

Prevention trials

Treatment trials

case-control studies

Cross-sectional studies

Drug Formulation Technology

Technological advances in excipient manufacturing, as well as advances in processing and manufacturing technology of drug design, have forced formulators to change the way they design new products. The need for safer, more consistent medicines shapes their decisions. Patient demand for medicines that are convenient and safe to take is increasing drug design. As a result, the pharmaceutical industry is inventing new types of tablets that combine multiple active ingredients. The airway of asthmatics is a battlefield of pervasive inflammation and environmental triggers to drug design. In addition to conventional therapies on behalf of drug development, new biologic therapies targeting IL-5 and other key interleukins are being used to control asthma and prevent fibrotic airway damage. A new frontier of asthma therapy was recently explored, based on tailor-made nanoparticles designed to deliver drugs under such conditions of drug design.

Excipients compatibility

Pre-formulation for early safety studies

Up-front stability testing

Development and validation of analytical methods

Advanced Drug Delivery System

In contrast to engineered nanosystems, biological systems are ideally designed to respond to their environment. Thus, natural molecular buffers ensure the precise and quantitative drug delivery of specific molecules through self-regulatory mechanisms. Here, we apply this principle to design autoregulatory molecular nucleic acid buffers for the chemotherapeutic drug doxorubicin and the antimalarial drug quinine. We show that these aptamer-based buffers can be programmed to maintain specific and desired free drug concentrations in vitro and in vivo, demonstrating drug development and drug chemical stability, partition coefficient, pharmacokinetics, and pharmaceutical biodistribution. Allows for optimization. These programmable buffers can be made from any polymer and should improve patient outcomes by enhancing drug activity, minimizing side effects, and dosing frequency.

Nasal drug delivery

Ocular drug delivery

Pulmonary drug delivery

Buccal drug delivery

Sublingual drug delivery

Transdermal drug delivery

Proteomics and Bioinformatics in Drug Discovery

The development of modern sequencing drug discovery with technologies has greatly advanced biomedical data over the past decade, opening new windows in clinical diagnosis and treatment of complex diseases. Bioinformatics can extract, analyze, and communicate hidden information from sequence and structure as well as functional knowledge of nucleic acids and proteins to drug development. This may lead to the design of therapeutic agents that activate or block the biological functions of biomolecules and help build various predictive models to support virtual bioactivity screening. This will aid in the pharmaceutical design and drug development of safer and more efficient therapeutic agents that can activate or block the biological functions of biomolecules. Therefore, all of the above problems must be fundamentally addressed in the application of bioinformatics technology and the development of new drugs.

Structural biology

Transcriptomics

Ribosome profiling

Proteomics analysis

Pharmaceutical Formulation

The delivery of therapeutics to the brain remains a challenge for researchers, and new methods of drug delivery continue to be explored in drug development. It provides a comprehensive overview of various nano-based drug delivery systems that aid in drug delivery across the blood-brain barrier. Inorganic nanocarrier systems, including gold and magnetic nanoparticles, as well as organic systems such as dendrimers, liposomes, niosomes, micelles, and polymeric nanoparticles, are discussed. A variety of commonly used nanoparticle drug design functionalization techniques for delivery to the brain include surface modification by physisorption using electrostatic forces, chemical cross-linking, covalent end-group modification, and layer-by-layer assembly techniques. Achieving an effect is not achievable when its ingredients are used individually. Achieve higher efficiency. They improve handling characteristics, and many cases also improve user safety of drug discovery.

Production of plasmid DNA vaccines

Oncological formulations

Parental formulations

Topical formulations

Novel drug formulations

Medicinal Chemistry

Diabetes has always been a major global health problem. Current treatments include oral and injectable hypoglycemic agents with specific toxic effects and side effects. Drug discovery and Medicinal chemistry provide a comprehensive understanding of the basic principles of drug action and behavior in the body that underlie today's pharmaceuticals care and patient counseling. Therefore, there is a growing need to discover more effective and safer antidiabetic drugs. Scientists have raised many concerns over the last few years in pharmaceuticals since discovering that apigenin is a non-toxic, edible, plant-derived flavonoid, with reduced bioavailability. Therefore, it is of great importance for pharmaceuticals to improve bioavailability by developing various derivatives through structural modifications by drug development. This overview lists various apigenin derivatives with different modifications of and synthetic methods handled in pharmaceuticals. We also analyzed and compared their antidiabetic activities. Meanwhile, several widely studied pharmaceuticals of antidiabetic mechanisms were summarized to better understand the antidiabetic effects of apigenin.

Basic aspects of drug activity

Analgesics and anti-inflammatory agents

Adrenergic drugs

Drug therapy

Antineoplastic agents

Machine Learning for Drug Discovery

Nowadays machine learning and AI play an important role in drug discovery. Rapid and accurate prediction of molecular properties is critical to advancing scientific discovery and application in fields ranging from materials science to pharmaceuticals. The pharmaceutical Experiments and simulations to explore possible options are time-consuming and expensive, so scientists have explored the use of machine learning (ML) techniques to support computational chemistry and pharmaceuticals field research to make an additional impact on drug development. However, most ML models can only use known or labeled data. The pharmaceutical aspects make it nearly impossible to accurately predict the properties of new compounds. A new wave of drug Discovery and drug development platforms enabled by artificial intelligence is enabling companies to leverage massive datasets to rapidly identify markers of patient response and identify viable drug targets more cost-effectively. It helps you to develop efficient drug discovery. Machine learning techniques improve pharmaceutical data decision-making in a variety of applications, including Target validation, drug development, prognostic biomarkers, and digital pathology are considered under this review issue considered in the pharmaceutical field.

QSAR analysis

De novo drug architecture

Diagnostic assistance

DMTA cycle

Nanomedicine

Cancer immunotherapies, such as immune checkpoint inhibitors, have attracted attention in recent years as novel approaches to cancer treatment. But immune checkpoint suppression therapy is only successful in 20-30% of cancer patients. Therefore, it is urgent to discover improved drug delivery platforms to activate cellular antitumor immunity to make better drug development. Over the past decade, there has been an increasing need to develop multiple systems that can deliver active pharmaceutical ingredients precisely and specifically to the desired site. In the future, nanotechnology may allow us to receive personalized treatment also it will allow major play in drug discovery. Through drug development and drug research, newly developed nanomedicine includes, for example, multicomponent systems, so-called theragnostic, which can contain both therapeutic and diagnostic molecules.

Regenerative medicine.

Sepsis treatment

Nano diagnosis treatment

Controlled drug delivery

Biomarkers

The past few decades have seen a significant advance in deciphering the pathophysiology of inflammatory bowel disease. Surprisingly, this abundance of treatment options does not yield the expected long-term response rates to increase drug design. Additionally, the increase in treatability has triggered an increase in research into biomarkers that may help designate therapy for patients most likely to respond in the drug design process. Fortunately in the process of drug research, important steps have been taken in the Drug development area leading to the discovery of several interesting biomarkers that are still being validated. However, the pace of progress in the field, the mismatch between short-term endpoints in studies of drug design exploring biomarkers, the ambition of the disease community to change disease course, and the inability to have certainty about the validity of detected biomarkers underlines the need for critical evaluation to drug design and drug development. conduct drug Discovery research in this area. We have highlighted areas for improvement in drug discovery studies that will help optimize the use of available therapies and break the current treatment ceiling and drug design and drug development. The discovery of biomarkers for predicting treatment response in IBD is an area of prime importance, given the urgent need to break the current treatment ceiling. Still, understanding the interactions between drugs and the most complex of systems - intact beings - is the ultimate goal to make proper drug discovery and drug design.

Hybrid inhibitor designing

Drug repurposing

Pharma kinetics

Pharmacotherapeutics

Antibiotics

The current model of antibiotic discovery is not delivering new drugs fast enough to combat current levels of antibiotic resistance. Scientific difficulties, an unfavorable regulatory environment, multiple mergers, and low economic returns associated with antibiotic development have driven many pharmaceutical companies out of the field. Although the drug research regulatory environment has improved since then, major scientific hurdles still hinder the discovery and development of new antimicrobial agents. With the increasing resistance of bacteria and the decline in the development of new antibiotics and drug research, the appropriate use of older antibiotics has become even more imperative. Clindamycin is a lincosamide antibiotic approved for adults and children as the drug of choice for systemic treatment in clinical trials of infections caused by anaerobic staphylococci, streptococci, and gram-positive bacteria. Because of its properties and high bioavailability, it is often used as part of an oral multimodal alternative to prolonged parenteral antibiotic regimens, for the treatment of infections associated with bones and joints or prosthetics. In addition, drug interactions derived from CYP3A4 inducers and inhibitors, and data on the impact of disease states on the CYP system, are still limited. These kinds of impacts make an important to drug discovery and drug development.

Mono bantams Mono bantams

Penicillin

Immunology

Antibiotic regiments

Biopharmaceuticals and Synthetic Drugs

Biopharmaceutical Classification System "BCS" To provide a scientific approach to the classification of drug compounds based on dose-related solubility and intestinal permeability in combination with the dissolution properties of oral immediate release (IR) dosage forms. The purity of the active ingredient in a pharmaceutical product and the composition of the final product can be verified relatively easily. High-purity chemicals from a variety of sources, including those formed from mixtures of isomers, can often be considered similar or even identical for practical purposes. The situation is different for biopharmaceuticals to conduct drug discovery. Due to biological differences between expression systems and the applied process conditions, some degree of variation can occur, even between different batches of the same product. Therefore, lot-to-lot variation should be monitored to ensure compliance. within a specific range, these aspects of Drug Discovery have implied. The properties of the active pharmaceutical ingredients in biopharmaceuticals, in addition to their primary structure (e.g., amino acid sequence), depend significantly on the manufacturing method. For this reason, it has been suggested that the "product identification procedure" for biopharmaceuticals 6, 7. Several protein expression systems have been established over the years, each with advantages and disadvantages.

Organs and tissues

Gene Therapy

Peptides components

Proteins in antibiotics

Computer-Aided Drug design-CADD

With the rapid improvement of computational methods and high-performance computing resources, computer-aided drug design has proven to be an effective and powerful strategy in almost any Drug Discovery and development. Due to the rapid development of crystallography and homology modeling techniques, structure-based virtual screening has become a useful technique to identify potential hits in the early stages of drug discovery. In addition to drug discovery and drug design, computational techniques such as quantum computing, molecular kinetics (MD) simulations, and elastic lattice modeling can be used to study protein catalysis, structural transitions, and other processes. allosteric determinations at the atomic level, providing useful information for drug-based mechanisms patterns. In this special research, the topic illustrates the applications of the CADD method and highlights the importance of developing new methods in drug design and drug discovery.

Quantitative Structure-Activity Relation

Bioanalytic Testing

Pharmacophore

Binding affinity

Vaccine drug delivery systems

Subunit immunization, although extremely specific and obvious in response to antibodies, does not usually exhibit such responses under conditions such as, for example, changes in the focus of specific evidence. Differentiates the epithelium of the immune system and has no immunogenic effect. Drive engraftment is a disease-hindering amplification process in which the microorganism or outcome of interest presents as an antigen and restores a particular cell of the body by producing borderline antibodies. specifically protected gender. A cold chain is a set of rules and procedures that ensure proper storage and distribution of vaccines to health services from the national level to the local level. The cold chain is connected to a refrigeration facility, allowing vaccines to be stored at recommended temperatures to maintain potency. These vaccines came over the Drug Discovery and drug research processes.

NDDS therapeutic systems

Immunization

Toxoid vaccines

Viral vector vaccines

Malignancies

Cellular Targeting and Intercellular Delivery

Delivery of targeted drugs to diseased tissue offers clear therapeutic benefits, such as increased strength and reduced sequelae. Advancement of specified drug delivery frameworks is supported by concerns about different drug profiles, the naming of reasonable cell culture models, and insight devices for their perception of drug discovery. Focus on cells that rely on organic data encoding devices. Although a fundamental advantage of the genetic code has not been reported recently, the peptide coding includes the origin based on the antagonists that have entered the clinical preliminaries and hardly any current evidence exists. Intracellular delivery can selectively localize molecules to target sites to maximize their efficacy and safety. Alternative routes for intracellular drug delivery and targeting have prompted extensive research and promise an exciting future for this field.

Nanocarriers

Cell-penetrating peptides

Monoclonal antibodies

Drug framework

Peptide drug conveyance

Salmonella-based system

Drug Lead Generation Strategies

The drug lead generation depends upon the value of the drug that came over the Drug Discovery processes. Despite their small market share compared to antibody-based therapeutics, small organic molecules continue to drive most new drug approvals followed by drug discovery and drug research. Small molecules are best suited to enter cells and reach rapidly discovering intracellular disease-relevant targets. Research chemists have also recently discovered a way to allow slightly larger molecules, such as macrocyclic peptides, to reach their intracellular targets. Moreover, advances in discovery chemistry have made it possible to modulate a wider variety of disease-relevant intracellular molecules with small molecules. The importance of such generation groups in the drug discovery process and drug research has been emphasized to focus on the discovery and refinement of new lead series with improved drug-like properties. Application of productivity-enhancing integrated technologies and drug-like characterization early in the lead purification process to ensure a balanced activity profile is achieved before a full lead optimization program is implemented. It is facilitated by combining evaluations. Sub track:

Phonotype and Target based screening

GPCR-based drug discovery

Smallmolecule Immuno Oncology targets

High throughput screening

Drug metabolites

Drug Toxicology

Drug Toxicity studies are primarily used to investigate specific adverse events and specific endpoints such as cancer, cardiotoxicity, and skin/eye irritation. Drug discovery is implied here to make a specialization drug of it. Patulin (PAT), a mycotoxin, is widespread in agricultural products. Although available research results suggest that PAT can be toxic to the nerves, immune system, and skin leading to heart, liver, and kidney damage. Trypan blue staining and Hoechst 33342 staining were used to analyze PAT, which induces apoptosis in 293 T cells. Superoxide dismutase (SOD), GSH, and malondialdehyde (MDA) were used to measure changes in the state Oxidative stress status of 293 T cells induced by PAT. Changes in reactive oxygen species (ROS) and ATP in mitochondria suggest a role for mitochondria when PAT induces cell damage and apoptosis. Through analysis of Cyt-C release assay, alteration of caspase activity, and correlation analysis, the potential mechanism of the mitochondrial apoptosis pathway was demonstrated. The results demonstrated that PAT induced cell damage significantly, and with increasing time and concentration, the cell survival rate decreased significantly. Hoechst 33342 staining and Trypan blue staining showed an increased rate of PAT-induced apoptosis. As PAT concentration increased, the activities of intracellular SOD and glutathione peroxidase decreased, and MDA content increased. Decreased intracellular ATP levels and accumulated ROS content suggest increased mitochondrial membrane permeability. Overexpression of Cyt-C triggered a cascade reaction of the enzyme caspase, leading to apoptosis. The results of the enzyme activity assay and correlation analysis indicated that caspase 3 was the most important in the cascade and was most correlated with caspase 8 and caspase 9. Drug discovery helps to make better medicinal components for this kind of effect.

Toxicogenomic

Apothecary

Immunotoxicology

Pesticide protection

Bioanalytical sciences

4th International Conference on Drug Discovery Chemistry

Dubai, UAE

October 23-25, 2023