In-Silico Study of Influences of Electronegativity Features on the Pharmacological and Pharmacokinetic Properties of Salbutamol

About Authors:

The electro negativity of the drug directly resembles its chemical nature towards the receptor. In order to achieve the desired response, the effective binding of drug is necessary. Based on the Lock key theory, every drug having a specific structure so that it can bind to a specific receptor. But for designing more efficient a new chemical entity for receptor as compared to the main drug, there is a requirement of some structural changes in the drug (ligand) molecules under structure activity relationship concept. 
Here an attempt has been made to develop Insilco approach to make some structural changes on the basis of point mutation (changes occurs at a particular point) in the antiasthmatic drug namely salbutamol.
The effect of this mutation on binding affinity of the molecule is studied using docking energy (energy involved in orientation of one molecule to a second are when bound to each other to form a stable complex) calculations and logp values. Here eight different structures of the drug found are more electronegative as compared to the main drug candidate. Mutation was made at C-3a position in place of hydrogen. These were analyzed for binding affinity with target receptor. The mutated molecules which have high logp values and less energy are selected for further adme properties studies. Thus after prediction all adme properties and toxicity studies of the mutated drugs, the best mutation was bromine in place of hydrogen at C-3a position.

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The Ministry of Health & Family Welfare, Government of India is setting up these six Autonomous Institutions of National Importance. For Faculty Positions/ Senior Residency applications are invited from Indian Nationals and Persons of Indian Origin holding OCI Status. Regular, Deputation, contractual appointments are open.


About Authors:
Pushpendra Kumar Patel*,  Narendra Prajapati , Jyoti Sahu
M. Pharma, T.I.T. College of Pharmacy,
M.P. India

It is a very well accepted fact that food, cloth and shelter are essential stuff for human beings, but the real fact behind these are only to achieve  good health , so that one can survive and enjoy the charm of god gifted life. As the health is prime importance than any of others, so it’s novel responsibility of that person to keep the world healthy, and that person is proudly called as health care professional, Dr. and pharmacist both comes under it, but the pharmacist is the base of health care profession. A person who is directly and actively involved in the life cycle of medicine. It concludes study from new entity to its elimination. Simply the person deals with biochemical mechanism of action of drug, drugs therapeutic role, side effect, potential interaction, and monitoring parameter.

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Sun Pharma make speciality pharmaceuticals and active pharmaceutical ingredients. Sun Pharma's brands are prescribed in chronic therapy areas like cardiology, psychiatry, neurology, gastroenterology, diabetology and respiratory.

Applications are invited work as Junior Research Fellow in a research project funded by the DST, Govt. of India

Indian Institute of Science Education and Research Bhopal was created in 2008 by the Ministry of Human Resource Development, Government of India. Its mission is to provide quality science education to UG and PG students. The prime focus is to integrate science education and research with a motive of attracting bright students and world class faculty.

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About Authors:
Sandhu Premjeet1, 2,Rathore Devashish2, Kataria Sahil1 , Middha Akanksh1
1Seth G. L. Bihani S.D. College of Technical Education,
Institute of Pharmaceutical Sciences and Drug Research,
Sri Ganganagar, Rajasthan, INDIA
2 School of Pharmaceutical Sciences, RGPV University campus,
Bhopal, M.P, INDIA

The blood – brain barrier (BBB) has always presented a challenge to scientists for brain drug targeting . the BBB evolved in such a way that it protects the brain from various foreign substance such as neurotoxins. This mechanism makes the BBB an insurmountable . This mechanism makes BBB an insurmountable barrier for numerous highly essential drugs , including antibiotics, cytostatics and other CNS active drug Drugs may be administered directly into the CNS or administered systematically (e.g. by intravenous injection) for targeted action in the CNS. The major challenge to CNS drug delivery is the blood-brain barrier (BBB), which limits the access of drugs to the brain substance. Various strategies that have been used for manipulating the blood-brain barrier for drug delivery to the brain include osmotic and chemical opening of the blood-brain barrier as well as the use of transport/carrier systems. Other strategies for drug delivery to the brain involve bypassing the BBB. Various pharmacological agents have been used to open the BBB and direct invasive methods can introduce therapeutic agents into the brain substance. It is important to consider not only the net delivery of the agent to the CNS, but also the ability of the agent to access the relevant target site within the CNS. Various routes of administration as well as conjugations of drugs, e.g. with liposomes and nanoparticles are considered. Some routes of direct administration to the brain are non-invasive such as transnasal route whereas others involve entry into the CNS by devices and needles such as in case of intrathecal and intracerebroventricular delivery.

QSAR Analysis on Some Novel 4-Quinolylhydrazone Derivatives as Anti- Tubercular agent

About Authors:
Dr. A. K. Pathak, Parul Sengar, Kamlesh Kumar*
Department of Pharmacy, Barkatullah University
Bhopal, M. P.

A Quantitative Structure Activity Relationship study on a Series of 40 molecules of (4-Quinolylhydrazone compounds) with anti-tubercular activity analogues was made using combination of various physicochemical descriptors (Thermodynamic, electronic and spatial). Several statistical expressions for 2D QSAR & 3D QSAR were developed using stepwise partial least square (PLS) regression analysis and K-Nearest neighboring molecular field analysis (K-NNMFA) respectively. The studies on 2D-QSAR, suggested the four descriptors T_C_C_2, T_C_N_4, Surface area excluding P & S, SsCH3E-index, and H donor count were common and highly contributed the activity. 2DQSAR model developed using partial least square regression approach. Negative logarithmic value of (MIC) was taken as dependent variable and selected discriptors were taken as independent varable. The analysis resulted in the following 2D-equation suggest that, MIC50 = [+0.1587 T_C_C_2- 0.0593 SsCH3E-index- 0.1395 T_C_N_4+ 0.3888 H-Donor Count -3.1556], n =26; Degree of freedom = 22; r2 = 0.75; q2 = 0.67; F test = 22.63;  r2 se = 0.20 ; q2 se = 0.23; pred_r2 = 0.46 ; pred_r2 se = 0.24, a H-donor group at Ar, is important for guiding the design of a new molecule. 3DQSAR model developed using K-nearest neighbour method (training set =33 and test set = 7). The best model derived by the method have q2 = 0.51, q2_se = 0.25, Predr2 = 0.71, pred_r2se = 0.16, n=33, k Nearest Neighbor is 2, Degree of freedom =28. The steric and electrostatic descriptors at the grid points, E_916 (0.1865, 0.3006); S_591 (-0.2851, -0.2580); S_1027 (-0.3273, -0.3090); S926 (30.000, 30.000) plays important role for design of new molecule. 3DQSAR analysis of series of 4-Quinolylhydrazone compounds informed that electropositive and less bulky group increases the biological activity.

Working opportunity as Pharmacist in BHEL - 5 posts

BHEL-Bhopal, one of the major units of BHEL- the Country's premier engineering Organisation and a NAVRATNA PSU which provides world class products and services to the core sectors like Power, Transportation, Transmission, Defence and Electronics sectors, invites applications for its well-equipped 300 bedded Kasturba Hospital from Para-Medical Staff of Indian origin for the following posts on purely Fixed Tenure Appointment basis. Preference will be given to the residents of MP. State.

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