Pharmaceutical chemistry is a branch of Pharmacy which deals with the biology and chemistry. The general laws of this branch helps us to study the drugs. Study of drugs include its structure, molecular formula, chemical nature, action on living organism, what are the chemical proportion of the drug, the methods of quality control and condition of their usuage. In very simple sentence the pharmaceutical chemistry is chemistry of drugs (Bhatt 2020).



The most fundamental goal of drug design is to predict the given molecule bind to target or not if yes then what are the forces of binding and how strongly it can bind. Molecular dynamics used to estimate the strength of inter-molecular interaction between the small molecules and the targe


Hansch in early 19 century introduced Quantative structure relationship. The data for the QSAR model development should be very accurate biological info. The equilibrium constant and rate constant are relative to free energy concerned (Martin 1999). 

 Parameters of QSAR- Electronic parameter-hammett constant (Hammett 1970)

 Hydrophobic parameter-Partition coefficent

 Steric parameter-Taft’s factor


DOCKING- is a computational tool to investigate the binding between the macromolecular target and potential ligand. Docking consists of an essential part of the structure based drug design. The fundamental of the aspects of the docking process is the scoring of protein and ligand interaction. Docking is actually an energy-optimization problem concerned with the search of the lowest free energy binding of a ligand within a protein binding site. Docking always requires two components characterized as searching and scoring (Kaldor 1997).

TYPES OF DRUG DESIGN- 1.LIGAND-BASED DRUG DESIGN                                                 2. STRUCTURE-BASED DRUG DESIGN








The antimicrobial agents are used for the treatment of infectious diseases successfully. The discovery and development of new antimicrobial agents are essential because accounted for multiplex classes of medicines that are used habitually to serve multifold diseases. Over the ages at hand has been an extension improvement of resistance in organisms that are characteristic pathogens in specimen (Narang and Sharma 2012). 

There are multiplications in number of statements of multi-drug resistance rod-shaped aerobic bacteria in the United States and over the world. Another holistic that cut down the effectiveness of treatment of these organisms is concurrence in finalization treatment regimens. Outstretched of treatment and antagonistic of the treatment furnish to the lack of concession (Fie, Je, Shin and Seo 2017). 

Microorganisms are persistently changing, ways to fight for one’s life, and customize to current situations. Meanwhile progression microorganism can spin to ghostly strain and pass from their host to human. Advancement of unfamiliar classes of drugs with fewer side effects and compressed lengths of treatment are key in lasting the battle against infectious diseases (Mandekar, Dadkar, Sheth 1969). 

On aromatic systems methoxy group have been extensively investigated for their biological activity. An example of methoxy group in aromatic system in Trimethoprim had been greatly used in combination with sulfamethoxazole and called as cotrimoxazole. This combination was formed to minimize the antibiotic resistance of sulfamethoxazole (Lin, Yu and Lateef 2009).

 It has a role as a plant metabolite (Vazakas and Doluisio, 1964). It is also known as Eudesmic acid / Gallic acid trimethyl ether. Eudesmic acid is isolated from eucalyptus oil.  These derivatives of benzoic acid possess various pharmacological activities and key intermediates, starting material for various heterocyclic active compound syntheses (kareem, 2016).

                                           3,4,5-Trimethoxy-benzoic acid








 Hydrazones are a important class of organic chemistry that possess the structure R_(1 ) R_(2 ) C=NNH_(2.)The azomethine (HC=N) double bond today known as Schiff base was prepared first time by the chemist Hugo Schiff (Moffelt and Rabjohn, 1960). 

 The Schiff base resembles the aldhyes and ketones on oxygen replacing by –NNH functional group. Hydrazones are the universally passed down biological compounds. The various aromatic Schiff base utilised to calculate to the concentration of low molecular weight aldhydes or ketones. They act as intermediates in many reactions such as mannich reactions type, asymmetric syncyanation and allylation reactions (Ray 2008).

 The hydrazone based compounds possessed a huge advantage in the branch of medical biotechnology that the hydrazone-based bond stable at the neutral pH (blood pH) but at the acidic environment the hydrazone-based bond gets break by the lysosomes and the compound become free for its biological action (Wei 2010).

The hydrazone have the tautomeric ability this means keto-enol form. In the solid state the schiff base exists in the natural keto form but in the solution they exist in the keto-enol form or only in deprotonation enol form. The conjugation gets increased due to the transfer of hydrogen atom in the π-electronic configuration. 

Compounds are hand-me-down as colouring and dyes, stimulant, intermediates in Chemistry fusion of heterocyclic compounds. If the schiff base is derived with the various heterocyclic rings it found to be exhibit anticonvulsant, anticancer and anti-proliferative properties. Theshowed a wide range of organic action like anesthetic, anti-inflammatory, antifungal, antimicrobial and antipyretic properties (Liu & Wu, 2009).

The –NH hydrazo and carbonyl group possessed intra-molecular bonding in them which results of the presence of both hydrogen acceptor and donor in the Schiff base (Fei 2014). 


A lone pair of the extreme nitrogen atom is conjugated with C=N double bond. Hydrazones are nucleophilic due to two nitrogen atoms; on the other hand the amino type nitrogen is major susceptible one. The carbon atom of hydrazone possesses both electrophilic and nucleophilic nature. The hydrogen atom of the Schiff base is more potent than acidic ketones (Krishnan 1971).

It is relevant to figure that a few of hydrazones possibly retrieve like E/Z-geometeric isomers (the motif Z and E represents the Cis and Trans arrangement of the group attached to the hydrazone).The stereochemistry of the Hydrazone is favourable E (Tabin, Hegarty, & Scott, 1971).   



Heterocyclic compounds are the organic compounds that contain in addition to carbon, oxygen or sulphur as a part of the ring. They may be simple aromatic or non-aromatic rings (Ameya 2007).

These molecules are the blessing in the chemical and life world. The research in this world has become a journey of thousand miles. Vast variety of heterocyclic molecules tuned itself in the modern drug classes. For the numerous syntheses of heterocyclic compounds and these compounds are also found to be fruitful as intermediates (Mullican, Wilson, Conner, Kostlan, Schries and Dyer, 1993).




Brown in 1961 examined the science of thiazolidinone. The thioether group and an amine group in the 1,3 positions of five-member saturated ring. The saturated form of thiazole with 4-position carbonyl called 4-thiazolidinone (Perez, Webster, Allen and Brown 2011). 

Change is feasible at 2,3 and 5 position. Diversified optical and geometrical isomers are correlated with plentiful pharmacological properties and the examples are given below of the biological activity (Kareem 2016). 

4-Thiazolidinone comprises – molecular weight-103.413, molecular formula-C_3 H_5NOS.

Physical properties-

 Description- Yellow crystal and odourless

 Melting point- 194 ̊C

  Density- 1.278 g/〖cm〗^3 



Antihistaminic agent                                                         Anti-inflammatory agent

Antibacterial activity of the most potent activity of 4-thiazolidinone ring. The N-3 and C-2 position on the 4-thiazolidinone highly shows the activity against the bacteria so this two are essential site for the new molecules to be derived. The active substance found in both nature and synthetic routes (Saeed 2007). 

It possesses some other fascinating activities that are given below in a diagram form figure-2.




The substituted thiazolidine moiety fascinated noticeable concern in the evolution of biological progressive compounds (Sharma, Samadhiya, Srivastava and Srivastava 2012). Heterocyclic compounds consisting of a five-membered C_3 NS ring and are a colorless liquid. Examples- pioglitazone and antibiotic penicillin. Thiazolidinone congeners act as a CNS active agents. 4-Thiazolidinones are more soluble in water without alkyl or aryl substituent’s and the use of compounds diminished due to the addition of subtituent which decreases the water solubility (Nirwan, Chahal and Kakkar 2018).


 The 5-methylene carbon atom of 4-thiazolidinone is nucleophilic (Emsley, Feeney, Sutcliff and Pergamen 1965). These complexes showed numerous anticipating applications (Wong, Yaan, Liu and Liu 2015).

Taylor reported the characteristics bands in the infrared spectra. He described the benchmark for determining the Cis and Trans configuration.The carbonyl peak of 4-thiazolidinone commonly found in mid of 1760-1665〖cm〗^(-1) (Sucheta, Tahlan and Kumar 2010).



In 1940 the subject of azete had been abstracted limited scrutiny because of the difficulty in synthesizing the azete molecules. These molecules are not found naturally in the nature except some parts of alkaloid bicyclic or tricyclic system. Azete are just a compound bearing four-membered ring with nitrogen atom in it (Mahdi, Al-Smaism and Mahmood 2015).

 The 2-azetidinone is a carbonyl derivative of azetidine. 2-Azetidinones commonly known as β-lactams are still the most widely used antibiotics to treat bacterial infection and microbial diseases. It is four-membered cyclic amide first synthesized by Staudinger 1907. During his classical studies of ketenes Staudinger and his collaborations initiated the evolution of science of β-lactams (Nilesh, Kiran, Vikas and Rakeeb 2005).

The ketene-imine reaction of Staudinger’s synthesis of monocyclic 2-azetidinone was highly used procedure to be known.  Various β-lactams had prepared by the reaction of acid chloride and imine in the presence of 3̊ amine or α-diazoketones as ketene precursor. 

2-Azetidinone comprises- molecular weight- 71.08, molecular formula-C_3 H_5NO.

Physical properties-

Description- colourless solid

Melting point- 73-74 ̊C

Density- 1.119 g/〖cm〗^3

The azetidinones are distinct from the cyclic amides this conformation was given by the spectral data of the NMR reading. Carbonyl groups in these compounds are the ester carbonyl and these molecules are the type of monocyclic lactam. It is profoundly soluble in ethanol and chloroform (Oana, Florentina, Cornelia, Mihai and Lenuta 2013).


Squibb and Takeda discovered the monobactams and he open the new biological uses for example Azeteronam and carumonam. These are the examples of the bacterialcidal (Mehta 2010). 

The 2-azetidinone-based heterocyclic systems have the β-lactamase diminishing action this represent a wonder target of organic synthesis.  

The 2-azetidinone derivative shows highly active against Gram negative bacteria. 

Substituted phenyl ring in the 2-zetidinone exhibited that chloro- substituted compound are highly active than other compounds. But the inhibitory activities of the p-F and p-Cl is better than the p-Br because the effecting factor is steric hinderance as given one example below with structure (Halve 2004).


The current research is done to more discover about the 2-azetidinones derivatives and its biological action.   

1,3,4-THIADIAZOLE-                                                                                                             Thiosemicarbazide is a white crystalline powder and odourless. The chemical formula isH_2 NC(S)NHNH_2. It is related to thiourea by inserting of an NH center. According to X-ray crystallography, the CSN_3 core of the molecule is planar (Zhang, Yang and Zhu 2011).

Thiosemicarbazides are precursor for thiosemicarbazones and many heterocyclic syntheses. On the pharmaceutical point of view, Thiosemicarbazides are useful intermediates and part of medicinal compounds.Thiosemicarbazide displayed assort medicinal action counting anticancer, antiviral, antimicrobial activities (Noolvi, Patel and kamboj 2012).

This tridentate ligand N-N-S in the thiosemicarbazide possess distinct pharmacological activities to the compounds. 


In the thiosemicarbazides, the C=O and C=S framework showed diverse reactivity in the reactions. The C=O bond is more polar and fractional positive charge on the carbon than C=S due to the electronegativity difference in the atoms O (3.44) and S (2.85) (Du, Guo, Hansell and Cohen 2002). 

The C=S bond possessed smaller charge on carbon than carbonyl carbon due to this C=S shows diminished electrophilicity and this means lower reactivity for the nucleophlies than carbonyl carbon (Dolman, Gosselin, O’shea and Danies 2006).

Three hetero-atoms at symmetrical position in five-membered aromatic ring possess divine biological actions (Sandstrom 1968). A wide variety of biological activities exhibited by a versatile pharmacophore that is 1,3,4-thiadiazole nucleus and makes up the azole group (Kadi 2007).




Bush in 1894 was the first researcher to report the synthesis of thiadiazole. He reacted two compounds hydrazine sulfate and carbon disulfide in the presence of potassium hydroxide in alcoholic solution to form thiadiazole (Palaska 2002).

 According to Losanitch, discovery of hydrazines are related to the advancement of 1,3,4-thiadiazole chemistry (Rao and Srinivasan 1950). Molecular formula-C_2 H_2 N_2S.



1,3,4-thiadiazole is synthesized from many procedure like dithiocarbazates, acylhydrazines and thiosemicarbazide. But, the most acceptable one is by the thiosemicarbazide. This synthesis proceeds from thiosemicarbazide cyclization and this have been widely used (Hoggarth 1949). Because of the =N-C-S moiety in the 1,3,4-thiadiazole exhibits the pharmacological actions (Bauer1966).


In this research I using the method to synthesis 1,3,4-thiadiazole based on the cyclocondensation of carboxylic acid with thiosemicarbazide in an acidic medium like phosphoric oxychloride. 


Antibacterial activity of a compound is said that the drug kills the virus and bacteria or slow down its expansion and doesn’t harm the side tissue or cell. 

Searching for therapeutic and acceptable antimicrobial agents is still a crucial issue due to the expansion of the multi-drug resistant strain. Some of the presently used antimicrobial agents are that contain hydrazide moiety (Chatterjee and Ghosh 1979). 

 Multi-drug resistant problems are mainly due to the significant expansion in morbidity and mortality, longer hospitalization and increment of health care costs. The evolution of new antimicrobial agents is very expensive and time consuming and leading to the decreasing interest of pharmaceutical industries in it.

 The cost of bringing up a modern compound to the market for use for public has been increased at a rate of 10% per annum.The modern targets and strategies for the next generation of antimicrobial drugs are for the purpose of diminishing the drugs resistance and emerging pathogens in the current world (Coates 2002). 


 A widespread challenge is that which results in vascular complications like lumen narrowing and atherosclerosis. This disease is now had become common in door to door and it is a chronic disorder. This disease transfers from genes to younger generation (Bhargava 2005).

Dysfuntion in the visceral tract for a long time can lead to diabetes mellitus. There are two types of diabetes- one is IDDM (juvenile onset DM) and other is NIDDM (maturity onset DM) (Ruy 2005).

Insulin is the hormone which secreted by β-cells of pancreas which help in regulating the sugar level in the blood. Under the basal condition ̴1U insulin is secreted per hour in the human body. After the meal the concentration of the insulin get increase (Shastri 1980).

One such plant which possesses antidiabetic activity is Zizyphus murtiana Lam. In ancient india this plant was used for the several other daily problem activities (Venkatesh 2003).

There are numerous classes of drugs are introduced tilled now for the treatment of the diabetes but somehow success is less. Mainly existing drugs causes obesity as a side effects which lead to many health problems in the body. There is also seen that the regular diet and exercises can control the diabetes with meditation so that mind will help to cure it (Pepato 2006).

There are many class of medicine some are given below and are called as oral hypoglycaemic agents-they lower the blood glucose level and taken orally.


Glucose entry can be possible in the human body due to the insulin receptor. Muscular activity can induce the entry of glucose in the body without insulin. The insulin receptor contains two subunits- one is α and β subunits connected by a double bond of disulfide. (Abid 2007).

  Insulin resistance is the response of the body to the insulin due to the any type factor like injury, genetics, or unbalanced functional in the body. Advanced age, modern life style and obesity can cause insulin resistance. Insulin sensitivity get decline with the age (Sharma 1999).

Data science and machine learning:

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