5^th Annual Congress on Chemistry in Drug Discovery & Designing April 16-17, 2018 Dubai, UAE

Anita Yadav has her expertise in computer aided drug designing. She has worked on Structure Based Drug Designing, Ligand Based Drug Designing, 2D, 3D

and Group QSAR based Drug Designing, De-Novo Designing, Homology Modelling, Pharmacophore modelling, Lead Identification and QSPR Designing. She can design any agonist and antagonist for the resistant bacterial strains. She has worked on Synthesis, Purification, and Structural Elucidation & Pharmacological Evaluation of following classes of compounds: Anti-tubercular, Anti-diabetic, Anti-malarial, Anti -inflammatory and Antibacterial agents..She is Working as “Assistant Professor in Pharmaceutical Chemistry” at Dr. L. H. Hiranandani College of Pharmacy, Ulhasnagar (Affiliated to Mumbai University).

The current scenario of development of new drugs needs no emphasis in light of the current global situation of health and disease. The conventional random screening method of drug discovery and design is time consuming and laborious with a long design cycle. It is a multidisciplinary, complex, costly and intellect intensive process. Rational drug design techniques can make drug discovery process more fruitful. Knowledge management and technique specific expertise can save time & cost, which is a paramount need of the hour. Drug discovery in the late 20th century was focused on the definition and characterization of the macromolecular substrates that serve as targets for drug design. The advent of genomics and the molecular biology revolution has permitted both the definition of new targets and the characterization of the genetic basis of disease states. Variety of concepts came up like pharmacogenomics, drug repurposing, polypharmacology, chemogenomics, phenotypic screening and high-throughput in vivo testing of mixture-based libraries in an integrated manner. These fields offer alternatives to the current paradigm of drug discovery, from a one target–one drug model to a multiple-target approach. Furthermore, the goals of lead identification are being expanded accordingly to identify not only ‘key’ compounds that fit with

a single-target but also ‘master key’ compounds that favorably interact with multiple targets. CADD is no longer merely a promising technique. It is a practical and realistic way of helping the medicinal chemist. It has become a significant tool, an aid to thought and a guide to synthesis. Remarkable progress has been made during the past few years in drug design and discovery. An improved generation of softwares with easy operation and superior computational tools to generate chemically stable and worthy compounds with refinement capability has been developed. These powerful new technologies should greatly accelerate the pace of new drug discovery.

Mohammad Salman Al-Ajely, He is working as a Prof.of Organic/Polymer Chemistry. He Completed his BSc,MSc. from Mosul University1976,1978, PhD. From Heriot- Watt university UK. and Mosul as joint research1993, Post Doc. In La-Trobe University Australia 2008. Training at Sheffield University 2009. Training at Cal. University USA 2012 Lecturer at Chemistry Dept.Education College 1980 Assistant prof. at the same Dept.1987 Prof.1998 Topic Teached: Organic, Heterocyclic and polymer for ndergraduate and post gradute students. More than 75 papers were published and more than12 conferance were attended in both fields, Iraqi patents 4 in both fieldsand more than 45 project for Iraqi ministry of higher Education and research.

We know that most heterocyclic compounds are drugs or co- drugs . In our investigation furfural was used as a precursor for heterocyclic synthesis, either by ring opening of furfural going to pyrimidine derivative E3 then functionalizing this pyrimidine into its derivatives E8, E10 and cyclization into oxadiazole and thiadiazoles E8, 11. The second step involve the reaction of pyrimidine with dimedon derivatives to afford dimedono pyrimidine derivatives.The second pathway involve the synthesis of oxamyl derivative of pyrmidine E21-25 these compounds were cyclized into new oxadiazoles E24-26. The third pathway involve the synthesis of mucobromic estersE27-29 from MBA acid then these esters were converted into the correspondig lactones E30-32 and E32-36 while reacting MBA with amines affording N-alkyland N-amido lactams.The last pathwaywas the reaction MBA with methanol, sodium azide to give azido intermeddiate which was cyclized with alkene or alkynes into triazole derivatives E42-49. The synthesized compounds were characterized by IR and some 1HNMR measurments.