17 January, 2017

COMPUTER AIDED DRUG, DESIGN AND DISCOVERY


The course was started on 10th Jan 2017 at 2:30 pm with the inaugural program in which the Principal Dr. Shaila Bootwala asked the students to grab this precious opportunity which our department has organised and extract the best from it.

After that Dr. G.M .Nazruddin  greeted the guests and asked a simple question  about the course that why this course is computer aided ??? Then he himself gave the answer that by taking help of computer softwares in drug designing we can save our time because with the help of software we can predict the biological activities of drugs without even synthesising so it helps in saving our time. Sometime it happens that we synthesise hundred of drugs but we find only a few of them are active which is the wastage of time. So this course will help in overcoming this problem. Second thing we can save our chemicals from wastage, which are so expensive.

After this Dr. Khursheed Ahmed introduced the Chief guest and other guests . The Chief guest was Dr. Rambabu Gondla who had came all the way from Hyderabad. He is the Head of Department of Chemistry in GITAM University , Hyderabad. Dr. Ravi Kumar was the another guest who also had came from Hyderabad. Then the felicitation of both the guest were done and the Chief Guest Dr. Rambabu did the inauguration of the course and told the students the advantages of this course  that the people face failures. They synthesize  a lot of drugs and when go for their biological activity they came to know that the compound shows no activity and this procedure is  repeated  again and again. So to avoid this wastage and failure this program or using of software for designing drugs is very beneficial  and everyone can work on it as diseases doesn’t attack a particular person it doesn’t have any discrimination of poor rich etc. Then Dr. Ravi Kumar also expressed his views about the course and at last Dr. Khursheed Ahmed expressed his sincere gratitude to all the guests
 
  On 11th January first speaker was Dr. Rambabu Gondla from GITAM University, Hyderabad the topic of his talk was “Ligand based Drug Discovery”. He talked about the role of Chemistry, Biology and Pharmacy in treating diseases. Biology helps in finding from where the disease came and Chemistry finds the molecule or compound for the disease and that compound will be tested by Pharmacologist. Biology finds Proteins involved in a disease. Computer aided drug designing before in vitro which is called In Silico.
After his lecture Dr. Ravi Kumar gave the hands on training of a software which is used for Drug designing named as Schrodinger.

On 12th January, first lecture was delivered by Shweta mam from Ahmednagar college. She was very good in the subject. She talked for about 2 hrs continuously. She mainly emphasized on the topics based on “SAR” and “QSAR”, where former stands for Structure Activity Relationship and the later stands for Quantitative Structure Activity Relationship. She introduced the working of drug by pharmacophore. Pharmacophore is that part of  drug molecule which actually binds to the active site .Later Lead molecules were taken and a deep discussion was done. These three effect about the drug via elaborated in detail that is  Lipophilicity, electronic effect and stearic effect. She took Hansch equation and told that equation can be used to predict the biological activity.

Second lecture was delivered by Dr. Khanna from Ahmednagar College, Ahmednagar. His lecture was mostly based on “ Disease”. He used Dis and Ease to describe a disease which is self explanatory . He talked about that how drug molecule attacks only diseased part. He gave brief explanation about the drug transport. After that he summed up with the points regarding muscle contraction , nerve impulse in which the metal ions are used to perform the function.

On 13th jan the lecture was delivered by Dr. Anwar R Shaikh from Allana College of Pharmacy, Pune. Initially he posed a question why M.Sc chemistry students are hired and not M. Pharmacy after a while he himself answered in a smooth voice M.Sc person knows the basics of the reactions, while pharmacy students do not. He talked about two parts of drug designing one pharmacokinetics and Phrmacodynamics, the later tells about ADME ( Availability of drug ) while later tells about drug receptor interactions. He told about the above two processes should go hand in hand for the proper functioning of drug. Then he switched to SAR ( structure activity relationship) So he greatly emphasised on how modifications in drug will lead to, improved activity, decreased activity , no change, adverse effect , completely change . He talked about how only one group change can change the function of drug. Now he post a question, how and why these modification could be done. He answered by the introduction of QSAR . He told why computer aided drug designing is given preference rather than simple drug design. He highlighted the costs of the drug, manufacturing time of the drug and wastage of chemicals.
On 14th jan the lecture was delivered by Dr. Dilip D. Dhavale from  HOD, Chemistry Department, University of Pune. He talked about the tittle “Chiron approach to Drug design” the topic was based on carbohydrate chemistry and its application. Initially he talked about Photosynthesis and later different types of isomers of glucose. He talked about food , clothing and shelter are nothing but carbohydrates .Different isomers of same compound are detected by body cells while we take these isomers as drugs. He also emphasised on column chromatography via he talked about distereomers can be resolved by column chromatography because of their different physical and chemical property. He continued with non-bonding interactions like dipole-dipole interaction, electrostatic attraction etc. Then he showed some slides in which glucose reactions via summerised.
On last day of the course there was valedictory function where Dr. Nazruddin and Dr. Khursheed Ahmed with all the staff members and students were present and they presented their views about what they have learned from this course how it is beneficial for them in future and a test was taken on the same day to check students knowledge regarding this course. In valedictory function all the participants received their certificates but the grade was mostly dependent on student’s performance .The students who secured highest grades were given best performance award.