Volume 15, Issue 36, 2021

About the Cover

Pfizer researchers reported in 2018 that lipophilic efficiency (LipE) is an important metric that is increasingly being applied to medicinal chemistry drug discovery programs. In this perspective, drug discovery examples have been strictly applied when adopting LipE to guide medicinal chemistry lead optimization toward candidate drugs with exceptional efficacy and safety in vivo potential, especially when guided by optimization based on physicochemical properties. In general, most medicinal chemists only consider potency and try to increase it during hits and lead optimization or when studying the structure-activity relationship. It should be noted that lipophilicity should be considered in conjunction with potency variations to ensure both the safety (drug-likeness) and the efficacy of the candidate drug. Therefore, the aim of this study is to identify successful potential leads against 3CL-pro and optimize them for maximum potency and safety in COVID-19 treatment with a design strategy approach. 3CL-pro inhibitors with lipophilic efficacy and related bioactivity data were obtained from the Chembl database and analyzed based on relationship between LipE and logP (lipophilic).

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RESEARCH

Evaluation of Flavonoid and Phenol content and Antioxidant Properties of Silver Nanoparticles of Unripe Pawpaw and Banana peel

Adesipe TI, Iweala EJ

In our ongoing search for anticancer compounds from natural products we chromatographed cytotoxic active extracts from medicinal plants growing in Omanin order to isolate their active ingredients

Drug Discovery, 2021, 15(36), 122-130

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Lipophilic Efficiency as an Important Metric in the Design of SARS coronavirus 3C-like proteinase (3CL-pro) Inhibitors: Guidepost towards Lead Selection and Optimization in the Treatment of COVID-19

Ambrose GO, Enya J, AbelJack-Soala T, Fabunmi BT, Temidayo AK, Olusola BO

Pfizer researchers reported in 2018 that lipophilic efficiency (LipE) is an important metric that is increasingly being applied to medicinal chemistry drug discovery programs

Drug Discovery, 2021, 15(36), 131-148

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The Extraction of Oil from Moringa oleifera for Pharmaceutical Utilization

Ukpaka CP, Goodhead TO, Ekperi NI

Research work was conducted on Moringa oleifera for oil extraction with the aid of n-hexane as basis for solvent extraction and water for steam extraction

Drug Discovery, 2021, 15(36), 149-158

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ANALYSIS

Synthesis and isolation of ion association complex of Bupivacaine HCl and Its Spectrophotometric Estimation in bulk and pharmaceutical Preparations

Munan A, Waseem AA, Rahman SF, khan AJ, Khan M, Abbas G, Iqbal A, khan O, Khan S

A simple spectrophotometric method was developed by using the picric acid as an ion pair reagent with Bupivacaine HCl (BH) in bulk and injection dosage forms

Drug Discovery, 2021, 15(36), 159-168

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RESEARCH

Toxicological evaluation of Vitex doniana stem bark methanol extract in female albino rats

Ukwuani-Kwaja AN, Sani I, Zubairu A

Modern therapeutic drugs are not generally acceptable, their accessibility are limited and also have more side effects hence there is need to search for safe natural alternatives from medicinal plants

Drug Discovery, 2021, 15(36), 169-180

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Molecular docking and dynamics simulation of L-hyoscyamine, eupatorium and alkaloid L27 as potential inhibitors against 3CLpro of SARS-CoV-2

Mandal M, Mandal S

Background & objectives: The COVID-19 pandemic, caused with the infection of SARS-CoV-2, is long lasting, and there is no specific treatment for the disease.

Drug Discovery, 2021, 15(36), 181-201

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ANALYSIS

Structural insight into antagonist action of multi-targeted phytochemicals on cardiovascular drug targets

Vallinayagam S, Arokiyaraj V, Anooj ES, Sanjith S, Sakthivel G, Munawar TM, Rudrapal M

In Cardiovascular diseases while doing multi targeted drugs designing, we investigated that the targets and plants can be given for cardiovascular diseases.

Drug Discovery, 2021, 15(36), 202-214

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Citrus Tangerina pre-treatment mitigates carbon tetrachloride induced hepatotoxicity on Wistar rats

Moke EG, Eduviere AT, Anachuna KK, Nwogueze BC, Erhenhi AH, Asiwe JN, Omorodion LI

Phytochemical constituents of medicinal plants are being used in the management of liver disease and in various pathological states.

Drug Discovery, 2021, 15(36), 215-220

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REPORT

In-Silico Antifungal Drug Discovery for Mucormycosis Targeting β- Glucan Synthase

Shahi A, Mishra SK

Mucormycosis or Black fungus is an infectious disease caused by a group of fungi involving Rhizopus, Mucor, Absidia, and Cunninghamella

Drug Discovery, 2021, 15(36), 221-230

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