Drawing structure and Reaction using Chemsketch CHEM SKETCH

BP607P Medicinal Chemistry III Practical : I Preparation of drugs Sulphanilamide * 7-Hydroxy, 4-methyl coumarin * Chlorobutanol * Triphenyl imidazole * Tolbutamide * Hexamine II Assay of drugs Isonicotinic acid hydrazide * Chloroquine * Metronidazole * Dapsone * Chlorpheniramine maleate * Benzyl penicillin III Microwave irradiation technique Synthesis of Phenytoin by Microwave * Synthesis of Aspirin by Microwave IV Drawing structures and reactions using chem draw®

Aim: Drawing structure and Reaction using Chemsketch CHEM SKETCH

ACD/ChemSketch is a molecular modeling program used to create and modify images of chemical structures. Also, there is a software that allows molecules and molecular models displayed in two and three dimensions, to understand the structure of chemical bonds and the nature of the functional groups.

The program offers some advanced features that allows the molecules rotate and apply colour to improve visualization. It has several templates with ions and functional groups with the possibility to add text and use other tools to optimize productions created by the software.

Application

Using ACD/ChemSketch is primarily for educational use. With this program it is possible to write and perform chemical equations, diagrams laboratories and chemical structures of various entity.

Computational chemistry software

Cheminformatics

Open-source
❖ Avalon Cheminformatics Toolkit
❖ Bioclipse
❖ Blue Obelisk
❖ Chemistry Development Kit
❖ ECCE
❖ JOELib
❖ OELib
❖ Open Babel
❖ RDKit

Proprietary
❖ Canvas
❖ Chemicalize
❖ Discovery Studio

Chemical kinetics

Open-source
❖ APBS
❖ Cantera
❖ KPP

Proprietary
❖ Autochem
❖ Chemical WorkBench
❖ CHEMKIN
❖ COSILAB
❖ DelPhi
❖ Khimera

Molecular modelling visualization

Open-source
❖ Ascalaph Designer
❖ Avogadro
❖ BALL
❖ Biskit
❖ CPMD
❖ Gabedit
❖ Ghemical
❖ Jmol
❖ Molekel
❖ PyMOL
❖ QuteMol
❖ RasMol

Proprietary
❖ Abalone
❖ ACD/ChemSketch
❖ Atomistix ToolKit
❖ ChemDraw
❖ ChemWindow
❖ EzMol
❖ Gaussian
❖ Maestro
❖ MarvinSketch
❖ MarvinView
❖ MODELLER
❖ SAMSON
❖ Spartan
❖ UCSF
❖ Chimera
❖ VMD

Molecular docking

Open-source
❖ AutoDock
❖ AutoDock Vina
❖ FlexAID
❖ rDock

Proprietary
❖ Glide
❖ LeDock

Molecular dynamics

Open-source
❖ CP2K
❖ GROMACS
❖ LAMMPS
❖ OpenMM
❖ PLUMED

Proprietary
❖ Abalone
❖ AMBER
❖ CHARMM
❖ Desmond
❖ GROMOSNAMD

Third Year B Pharm Notes, Syllabus, Books, PDF Subjectwise/Topicwise

T Y B Pharm Sem V	T Y B Pharm Sem VI
BP501T Medicinal Chemistry II Theory	BP601T Medicinal Chemistry III Theory
BP502T Industrial Pharmacy Theory	BP602T Pharmacology III Theory
BP503T Pharmacology II Theory	BP603T Herbal Drug Technology Theory
BP504T Pharmacognosy II Theory	BP604T Biopharmaceutics and Pharmacokinetics Theory
BP505T Pharmaceutical Jurisprudence Theory	BP605T Pharmaceutical Biotechnology – Theory
BP506P Industrial Pharmacy I Practical	BP606T Quality Assurance Theory
BP507P Pharmacology II Practical	BP607P Medicinal chemistry III Practical
BP508P Pharmacognosy II Practical	BP608P Pharmacology III Practical
	BP609P Herbal Drug Technology Practical

Drawing structure and Reaction using Chemsketch CHEM SKETCH