Role of Pharmaceutical Sciences in Future Drug Discovery

Bonam, Srinivasa Reddy; Sekar, Mahendran; Guntuku, Girija Sankar; Goud, Nerella Sridhar; A, Krishna M Pawar; Challa, Siva Reddy; Eswara, Gopala Kmt; Mettu, Sivamma

doi:10.4155/fdd-2021-0005

Cited by 5 publications

(3 citation statements)

References 38 publications

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“…Mathematical models and computational tools advance PK/PD research, affording more precise predictions and simulations. Incorporating real-world data into PK/PD studies yields insights into drug effectiveness and safety within diverse patient populations [2][3][4][5].…”

Section: Review Open Accessmentioning

confidence: 99%

Pharmaceutical Analysis in Drug Discovery and Drug Development

Kosuru,

Rafi

et al. 2023

J Cli Pharm Res

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Pharmaceutical analysis stands as a linchpin within the intricate and multifaceted landscape of drug development. It assumes a pivotal role in upholding the safety, efficacy and quality of medicinal products at each juncture of their odyssey from conceptualization to market integration. Within this discourse, we delve into the paramount role of pharmaceutical analysis within the sphere of drug development. Pharmaceutical analysis plays an instrumental role in the identification and characterization of lead compounds that harbor therapeutic potential. Techniques such as high-throughput screening, mass spectrometry and nuclear magnetic resonance (NMR) serve as guiding lights in the quest for promising candidates. The elucidation of molecular structures through the means of NMR and X-ray crystallography takes center stage, facilitating a profound comprehension of the intricate interplay between drugs and biological targets. In this review we focused on role of pharmaceutical analysis in drug development and drug discovery. Inadequate pharmaceutical analysis and manufacturing practices can lead to the distribution of unsafe and ineffective medicines. Thus, adherence to cGMP is not only a legal obligation but also a moral imperative to protect public health and maintain the integrity of the pharmaceutical industry.

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Section: Review Open Accessmentioning

confidence: 99%

Pharmaceutical Analysis in Drug Discovery and Drug Development

Kosuru,

Rafi

et al. 2023

J Cli Pharm Res

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“…Over the last few decades, the screening of molecular databases has become a fascinating drug-discovery strategy in academia and industry [ 1 , 2 ]. The screening of large chemical databases is an effective and pioneering methodology for finding potential molecules or molecular scaffolds for any specific disease target.…”

Section: Introductionmentioning

confidence: 99%

Identification of Potential Cytochrome P450 3A5 Inhibitors: An Extensive Virtual Screening through Molecular Docking, Negative Image-Based Screening, Machine Learning and Molecular Dynamics Simulation Studies

Islam¹,

Dudekula²,

Rallabandi³

et al. 2022

IJMS

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Cytochrome P450 3A5 (CYP3A5) is one of the crucial CYP family members and has already proven to be an important drug target for cardiovascular diseases. In the current study, the PubChem database was screened through molecular docking and high-affinity molecules were adopted for further assessment. A negative image-based (NIB) model was used for a similarity search by considering the complementary shape and electrostatics of the target and small molecules. Further, the molecules were segregated into active and inactive groups through six machine learning (ML) matrices. The active molecules found in each ML model were used for in silico pharmacokinetics and toxicity assessments. A total of five molecules followed the acceptable pharmacokinetics and toxicity profiles. Several potential binding interactions between the proposed molecules and CYP3A5 were observed. The dynamic behavior of the selected molecules in the CYP3A5 was explored through a molecular dynamics (MD) simulation study. Several parameters obtained from the MD simulation trajectory explained the stability of the protein–ligand complexes in dynamic states. The high binding affinity of each molecule was revealed by the binding free energy calculation through the MM-GBSA methods. Therefore, it can be concluded that the proposed molecules might be potential CYP3A5 molecules for therapeutic application in cardiovascular diseases subjected to in vitro/in vivo validations.

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“…Pharmaceutical analysis has traditionally been defined as analytical chemistry that deals with drugs as both bulk drug substances and pharmaceutical products (formulation) [1,2]. However, other branches of analytical chemistry, such as bioanalytical chemistry, drug metabolism studies, and analytical biotechnology are also involved in academia and the pharmaceutical industry [3,4]. Drug development in the pharmaceutical industry is a lengthy process that frequently takes more than a decade from the start of a research project to the appearance of a drug on the market [5,6].…”

Section: Introductionmentioning

confidence: 99%

Spectrophotometric Determination Of Anti-Obesity Drug (Lorcaserin) By Azo Coupling Reaction With Brady’s Reagent

2022

pnr

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The dedication of lorcaserin in its pure form and pharmaceutical preparations, with a simple, exact, precision, accurate and managed spectrophotometric technique is studied. The azo coupling reaction of dinitrophenylhydrazine (2,4DNPH) reagent oxidized by potassium iodate with lorcaserin in alkaline medium. The optimum conditions for the formation of the azo coupling dye were studied from the impact of the reagent's extent and the volume of concentrated H2SO4, concentration and volume of oxidizing agent KIO3, volume of NaOH, the quick response of time and the temperature effect. This method obeys Beer's law with concentrations ranging from (25-500) µg. mL -1 at max wavelength 590 nm. The Calculated values from the current study were LOD = 0.523 µg. mL -1 , LOQ = 1.743 µg. mL -1 , linearity coefficient = 0.9990, sandals sensitivity =0. 294µg.cm -2 and stabilization constant is 5. 1×10 8 .The proposed method has been successfully applied for the dedication of lorcaserin in its pharmaceutical preparations.

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Role of Pharmaceutical Sciences in Future Drug Discovery

Cited by 5 publications

References 38 publications

Pharmaceutical Analysis in Drug Discovery and Drug Development

Pharmaceutical Analysis in Drug Discovery and Drug Development

Identification of Potential Cytochrome P450 3A5 Inhibitors: An Extensive Virtual Screening through Molecular Docking, Negative Image-Based Screening, Machine Learning and Molecular Dynamics Simulation Studies

Spectrophotometric Determination Of Anti-Obesity Drug (Lorcaserin) By Azo Coupling Reaction With Brady’s Reagent

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