A New Kind of Flu and Neuro Illnesses Drug Design

Biomolecules are of crucial importance for the structure and function of the cell. Proteins are made from chains of amino acids, which fold up to form three dimensional tertiary structures. The structure will determine the role of the protein in the cell, for example, the protein might be required for a structural purpose, or it might be needed for the catalysis of a biochemical process as an enzyme. Enzymes are critical for the catalysis of biochemical processes, which occur at the relatively mild condition of body temperature. The instructions for synthesising proteins are contained in genes on DNA. The DNA in the cell nucleus is transcribed onto RNA before being translated into a protein in the cytoplasm at ribosomes, organelles specifically designed for this process. The cell membrane and those of the organelles within the cell are made from phospholipids. These membranes allow for the controlled passage of molecular feedstocks for synthesis in and out of the cell. They also permit cellular signalling processes [1].

The diversity of proteins required for a cell to function is transcribed from the cell’s instruction manual: DNA. The DNA (deoxyribonucleic acid) resides within the cell nucleus, which is effectively the control centre for the cell. The nucleus is a membrane bound structure containing pores to permit the selective passage of certain molecules required for cellular activity at this organelle. Nucleotides and polynucleotides, such as RNA, continually diffuse in and out of the nucleus. DNA is a polymer made up of monomer units called nucleotides. Nucleotides are simple molecules that are essential for life, either as a single unit or polymeric, with numerous roles inside the cell. In this design, I have struggled design of noneffect materials and molecule for drug, also for infectious and genetics problems. For this porpose, I have worked by Chemdraw software and a new molecular design for drug has obtained.

The synthesis and breakdown of biopolymers follow a discrete sequence of chemical changes and follow definite rules. As a result, many of the biological compounds that make up the cell are chemically related and can be broadly classified into four major families of small organic molecules: the simple sugars, the fatty acids, the amino acids and the nucleotides. Sugars are the food molecules of the cell, broken down to create chemical energy. Fatty acids play an important role as the main component of the cell membrane, and amino acids and nucleotides are the sub units of two crucial groups of biopolymers: proteins and nucleic acids, respectively [2].

Proteins are built from a repertoire of 20 amino acids; all are necessary for protein synthesis, but only 10 of the 20 can be synthesised by humans; the other 10 must be obtained from dietary sources. Intermolecular interactions are of fundamental importance in biochemistry. The forces that exist between molecules are responsible for the assembly of protein sub units to form the quaternary structure. Intermolecular forces are crucial for biological catalysis with enzymes, molecular recognition via substrate–receptor binding and DNA processes as well as many other biochemical processes. Many cellular reactions are catalysed by enzymes, needed as many reactions would otherwise proceed at imperceptible rates at body temperature. For proteins that function as a catalyst, namely enzymes, the conformation of the protein governs its chemistry.

Drug Design, Synthesis and Development

The interactions of a drug in the body are referred to as pharmacodynamics and pharmacokinetics. Drugs are designed to optimise binding interactions with their target. This may not necessarily require the strongest possible binding, as the effects of the drug may need to be reversible, and this will also have implications for the dosing regimen of the drug. The pharmacokinetics of how a drug travels needs to be considered for the entirety of the drug’s passage through the body through absorption, distribution, metabolism, excretion and toxicity, abbreviated as ADMET. The binding interactions that are required of the drug need to be carefully considered during the synthesis of the drug. Binding groups need to be positioned on the correct place for optimised binding interactions. Therefore, aspects of the regioselectivity of the reactions used to make the drug must be carefully selected [3].

Drugs are oftentimes designed to interact with a biological target. The interactions of the drug with its target need to be carefully optimised to ensure the desired medical result is achieved. When designing new drugs, medicinal chemists must take into consideration both the interactions of the drug molecule with its target and the com pound’s behaviour in the body. Pharmacodynamics examines how to optimise a drug’s binding to its target. Pharmacokinetics considers how a drug travels through the body to reach the target. A compound that has the best binding interaction is not necessarily the most medicinally useful as efficacy depends on the drug reaching the target at therapeutic concentrations. Often, a compromise between pharmacodynam ics and pharmacokinetics has to be made.

Basic principles of pharmacodynamics, the branch of pharmacology that is concerned with the effects of drugs and the mechanism of their action, are to understand the physiological and biochemical effects that drugs have and to correlate these effects with the chemical structure of the compound, considerations of the chemical energetics and rates of reaction need to be understood. Considerations for the pharmacodynamic properties of drugs have been discussed in previous chapters; optimising drug binding with the target is an essential feature of drug design. Designing molecular features to facilitate a drug’s journey to the target is equally important. There are five main aspects of pharmacokinetics to take into consideration when designing drugs: absorption, distribution, metabolism, excretion and toxicity, abbreviated as ADMET.

Identifying a Drug Target

There are several different approaches that are taken to design a drug against an identified target. Possible targets may include nucleic acids, cell receptors or enzymes. IUPAC defines a pharmacophore as ‘an ensemble of steric and electronic features that is necessary to ensure the optimal supramolecular interactions with a specific biological target and to trigger (or block) its biological response’. It is, in essence, an abstract description of the molecular features that are necessary for molecular recognition of a ligand by the receptor site of a biological macromolecule. Structurally diverse ligands, so long as the pharmacophore is present, may be able to bind to a common receptor site and have their specific bonding interaction. When screening a compound library of potential ‘hit compounds’ ligands with optimal bonding strength can be identified and selected for further medicinal research and development. The pharmacophore points of test compounds are those that are involved in form ing bonding interactions. Pharmacophore features include hydrophobic centroids, aromatic rings, hydrogen bond acceptors and donors and anions and cations. These features must match the reciprocal structures in the receptor site. This leads to a structure-based drug design. The necessary binding groups to optimise bonding interactions with the target receptor must be in the correct spatial position to satisfy the geometry of the chemi cal bonds and directionality on all non-covalent interactions. This is determined via pharmacophore modelling approaches to drug design. As such, an appropriate molecular scaffold needs to be developed that holds these binding groups in precisely the right position. It may then become necessary to use bioisosterism to reduce toxicity, improve bioavailability or otherwise improve the efficacy of the drug. Bioisosteres are chemical substituents or groups with similar physical or chemical properties which produce generally similar biological responses in the same chemical com pound. Switching one bioisostere for another during the drug design process can have the result of slightly changing the biological effect that the chemical com pounds have.

By this illustration, I have tried to say the different levels of a drug design. For these desugs and analyses, we should at first design a molecule and for this porpose different kinds of softwares there are such as chemdraw. If we consider atoms without distance, maybe effects of molecules and drug producing from will decrease. Also, by combination DNA and Enzyms, a new design for genetic drug has obtained. Also, by help microorganism, a molecule obtained that will have benefits for some illnesses. My subject is not pharmacy and needs pharmacist improve these ideas.

As a result, we have discovered these molecules for cure some illnesses that needs to be aanalysis.

Here it announces, for this paper no fund has been get and writing this article is only based on personal interests.

No conflict of interest.

1. Vinicius Goncalves Maltarollo (2024) Computer-Aided and Machine Learning-Driven Drug Design From Theory to Applications, Springer Publication.
2. Inamuddin, Tariq Altalhi, Jorddy N Cruz, Moamen Saleh El Deen Refat (2022) Drug-Design-using-Machine-Learning, Wiley Publication.
3. Nathan Keighley (2025) Introduction to organic and Medicinal Chemistry, CRC Press.